From 5541fb800ca6d0871f6603dba8971ced9d55ec02 Mon Sep 17 00:00:00 2001
From: rosendo <rosendo.valero@gmail.com>
Date: Tue, 19 Jul 2016 14:58:19 +0200
Subject: [PATCH] Gaussian parser with ground and excited state energies

---
 .../testsg09d01/test0200.log.annotate         | 3596 -----------------
 1 file changed, 3596 deletions(-)
 delete mode 100644 test/examples/testsg09d01/test0200.log.annotate

diff --git a/test/examples/testsg09d01/test0200.log.annotate b/test/examples/testsg09d01/test0200.log.annotate
deleted file mode 100644
index e05e9b5..0000000
--- a/test/examples/testsg09d01/test0200.log.annotate
+++ /dev/null
@@ -1,3596 +0,0 @@
-# this file contains ANSI colors; use 'less -R' to view it
-  parser_gaussian.py:0059            root    no| Entering Gaussian System, Link 0=g09
-  parser_gaussian.py:0059            root    no| Initial command:
-  parser_gaussian.py:0059            root    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059            root    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34176.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34176.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| ------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g test geom=modela pop=mk
-  parser_gaussian.py:0028         UNNAMED    no| ------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:28 2013, MaxMem=           0 cpu:         0.0
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 1): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:29 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    10 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Merz-Kollman atomic radii used.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|     426 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges to electrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00208 RRMS=   0.11245:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.726090
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.448428
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.227880
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.052372
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.001295
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.001295
-  parser_gaussian.py:0059         UNNAMED    no| Sum of ESP charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.277662
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.277662
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     1.6846     1.3048     0.0000 Tot=     2.1308
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| test geom=modela pop=mk\\Gaussian Test Job 200 (Part 1): Methanol char
-  parser_gaussian.py:0059         UNNAMED    no| ges via electrostatic potential fit\\0,1\O\H,1,0.96\C,1,1.43,2,109.471
-  parser_gaussian.py:0059         UNNAMED    no| 22063\H,3,1.09,1,109.47122063,2,180.,0\H,3,1.09,1,109.47122063,2,-60.,
-  parser_gaussian.py:0059         UNNAMED    no| 0\H,3,1.09,1,109.47122063,2,60.,0\\Version=ES64L-G09RevD.01\State=1-A'
-  parser_gaussian.py:0059         UNNAMED    no| \HF=-114.396749\RMSD=8.389e-09\Dipole=0.7095186,0.,0.453236\Quadrupole
-  parser_gaussian.py:0059         UNNAMED    no| =-1.2870475,-0.584731,1.8717785,0.,-1.0652141,0.\PG=CS [SG(C1H2O1),X(H
-  parser_gaussian.py:0059         UNNAMED    no| 2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| THERE IS MUCH PLEASURE TO BE GAINED FROM USELESS KNOWLEDGE
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|                                       -- BERTRAND RUSSELL
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.2 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:30 2013.
-  parser_gaussian.py:0059         UNNAMED    no| Initial command:
-  parser_gaussian.py:0059         UNNAMED    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059         UNNAMED    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34177.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34177.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| ---------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g pop=(mk,dipole) test geom=modela
-  parser_gaussian.py:0028         UNNAMED    no| ---------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=24,20=1,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:30 2013, MaxMem=           0 cpu:         0.1
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 2): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit with dipole constraint
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:30 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    10 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Merz-Kollman atomic radii used.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|     426 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges to electrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| The dipole moment will be constrained to the correct value
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00209 RRMS=   0.11253:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.727423
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.448445
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.227768
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.052495
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.000643
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.000643
-  parser_gaussian.py:0059         UNNAMED    no| Sum of ESP charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.278977
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.278977
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     1.6873     1.3163     0.0000 Tot=     2.1400
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| pop=(mk,dipole) test geom=modela\\Gaussian Test Job 200 (Part 2): Meth
-  parser_gaussian.py:0059         UNNAMED    no| anol charges via electrostatic potential fit with dipole constraint\\0
-  parser_gaussian.py:0059         UNNAMED    no| ,1\O\H,1,0.96\C,1,1.43,2,109.47122063\H,3,1.09,1,109.47122063,2,180.,0
-  parser_gaussian.py:0059         UNNAMED    no| \H,3,1.09,1,109.47122063,2,-60.,0\H,3,1.09,1,109.47122063,2,60.,0\\Ver
-  parser_gaussian.py:0059         UNNAMED    no| sion=ES64L-G09RevD.01\State=1-A'\HF=-114.396749\RMSD=8.389e-09\Dipole=
-  parser_gaussian.py:0059         UNNAMED    no| 0.7095186,0.,0.453236\Quadrupole=-1.2870475,-0.584731,1.8717785,0.,-1.
-  parser_gaussian.py:0059         UNNAMED    no| 0652141,0.\PG=CS [SG(C1H2O1),X(H2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|      SCIENCE SANS CONSCIENCE N'EST QUE RUINE DE L'AME.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|                                                  -- RABELAIS
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.2 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:31 2013.
-  parser_gaussian.py:0059         UNNAMED    no| Initial command:
-  parser_gaussian.py:0059         UNNAMED    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059         UNNAMED    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34193.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34193.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| -------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g pop=(mk,atomdipole) test geom=modela
-  parser_gaussian.py:0028         UNNAMED    no| -------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=72,20=1,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:31 2013, MaxMem=           0 cpu:         0.1
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 3): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit with dipole constraint
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:31 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:32 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:32 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:32 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:32 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:32 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    28 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Merz-Kollman atomic radii used.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|     426 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges and point dipoles to eletrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| The dipole moment will be constrained to the correct value
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00052 RRMS=   0.02789:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges         Point Dipoles (au):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -1.012553  -0.188014   0.088301   0.000000
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.666420  -0.166012   0.071289   0.000000
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    1.122571  -0.126326   0.183475   0.000000
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.276392  -0.280910   0.066430   0.000000
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.250023   0.117019   0.054551   0.191614
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.250023   0.117019   0.054551  -0.191614
-  parser_gaussian.py:0059         UNNAMED    no|       Tot   0.000000  -0.527223   0.518597   0.000000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.346134
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.346134
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     3.0273    -0.0019     0.0000 Tot=     3.0273
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:32 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| pop=(mk,atomdipole) test geom=modela\\Gaussian Test Job 200 (Part 3): 
-  parser_gaussian.py:0059         UNNAMED    no| Methanol charges via electrostatic potential fit with dipole constrain
-  parser_gaussian.py:0059         UNNAMED    no| t\\0,1\O\H,1,0.96\C,1,1.43,2,109.47122063\H,3,1.09,1,109.47122063,2,18
-  parser_gaussian.py:0059         UNNAMED    no| 0.,0\H,3,1.09,1,109.47122063,2,-60.,0\H,3,1.09,1,109.47122063,2,60.,0\
-  parser_gaussian.py:0059         UNNAMED    no| \Version=ES64L-G09RevD.01\State=1-A'\HF=-114.396749\RMSD=8.389e-09\Dip
-  parser_gaussian.py:0059         UNNAMED    no| ole=0.7095186,0.,0.453236\Quadrupole=-1.2870475,-0.584731,1.8717785,0.
-  parser_gaussian.py:0059         UNNAMED    no| ,-1.0652141,0.\PG=CS [SG(C1H2O1),X(H2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| AN OPTIMIST IS A GUY
-  parser_gaussian.py:0059         UNNAMED    no| THAT HAS NEVER HAD
-  parser_gaussian.py:0059         UNNAMED    no| MUCH EXPERIENCE
-  parser_gaussian.py:0059         UNNAMED    no|   (CERTAIN MAXIMS OF ARCHY  -- DON MARQUIS)
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.2 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:32 2013.
-  parser_gaussian.py:0059         UNNAMED    no| Initial command:
-  parser_gaussian.py:0059         UNNAMED    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059         UNNAMED    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34203.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34203.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| ---------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g test geom=modela pop=chelp
-  parser_gaussian.py:0028         UNNAMED    no| ---------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=8,20=2,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:32 2013, MaxMem=           0 cpu:         0.0
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 4): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit with Chirlian-Francl grid
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    10 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Francl (CHELP) atomic radii used.
-  parser_gaussian.py:0059         UNNAMED    no| Generate Potential Derived Charges using the Chirlian-Francl model.
-  parser_gaussian.py:0059         UNNAMED    no| Fit using   5 shells.
-  parser_gaussian.py:0059         UNNAMED    no| Number of Points to Fit=     411
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|     411 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges to electrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00204 RRMS=   0.14934:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.736880
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.433282
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.374169
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.000191
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.035189
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.035189
-  parser_gaussian.py:0059         UNNAMED    no| Sum of ESP charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.303599
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.303599
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     1.7109     1.2962     0.0000 Tot=     2.1464
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:33 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| test geom=modela pop=chelp\\Gaussian Test Job 200 (Part 4): Methanol c
-  parser_gaussian.py:0059         UNNAMED    no| harges via electrostatic potential fit with Chirlian-Francl grid\\0,1\
-  parser_gaussian.py:0059         UNNAMED    no| O\H,1,0.96\C,1,1.43,2,109.47122063\H,3,1.09,1,109.47122063,2,180.,0\H,
-  parser_gaussian.py:0059         UNNAMED    no| 3,1.09,1,109.47122063,2,-60.,0\H,3,1.09,1,109.47122063,2,60.,0\\Versio
-  parser_gaussian.py:0059         UNNAMED    no| n=ES64L-G09RevD.01\State=1-A'\HF=-114.396749\RMSD=8.389e-09\Dipole=0.7
-  parser_gaussian.py:0059         UNNAMED    no| 095186,0.,0.453236\Quadrupole=-1.2870475,-0.584731,1.8717785,0.,-1.065
-  parser_gaussian.py:0059         UNNAMED    no| 2141,0.\PG=CS [SG(C1H2O1),X(H2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Everywhere is walking distance if you have the time.
-  parser_gaussian.py:0059         UNNAMED    no|                                    -- Steven Wright
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.2 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:33 2013.
-  parser_gaussian.py:0059         UNNAMED    no| Initial command:
-  parser_gaussian.py:0059         UNNAMED    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059         UNNAMED    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34204.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34204.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g test geom=modela pop=chelpg
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=8,20=3,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:34 2013, MaxMem=           0 cpu:         0.0
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 5): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit with Brenneman grid
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:34 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    10 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Breneman (CHELPG) radii used.
-  parser_gaussian.py:0059         UNNAMED    no| Generate Potential Derived Charges using the Breneman model, NDens= 1.
-  parser_gaussian.py:0059         UNNAMED    no| Grid spacing= 0.300 Box extension= 2.800
-  parser_gaussian.py:0059         UNNAMED    no| NStep X,Y,Z=   27     27     26   Total possible points=       18954
-  parser_gaussian.py:0059         UNNAMED    no| Number of Points to Fit=    5906
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|    5906 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges to electrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00225 RRMS=   0.12453:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.736307
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.445539
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.293667
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.034071
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.018485
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.018485
-  parser_gaussian.py:0059         UNNAMED    no| Sum of ESP charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.290768
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.290768
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     1.6775     1.3073     0.0000 Tot=     2.1267
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| test geom=modela pop=chelpg\\Gaussian Test Job 200 (Part 5): Methanol 
-  parser_gaussian.py:0059         UNNAMED    no| charges via electrostatic potential fit with Brenneman grid\\0,1\O\H,1
-  parser_gaussian.py:0059         UNNAMED    no| ,0.96\C,1,1.43,2,109.47122063\H,3,1.09,1,109.47122063,2,180.,0\H,3,1.0
-  parser_gaussian.py:0059         UNNAMED    no| 9,1,109.47122063,2,-60.,0\H,3,1.09,1,109.47122063,2,60.,0\\Version=ES6
-  parser_gaussian.py:0059         UNNAMED    no| 4L-G09RevD.01\State=1-A'\HF=-114.396749\RMSD=8.389e-09\Dipole=0.709518
-  parser_gaussian.py:0059         UNNAMED    no| 6,0.,0.453236\Quadrupole=-1.2870475,-0.584731,1.8717785,0.,-1.0652141,
-  parser_gaussian.py:0059         UNNAMED    no| 0.\PG=CS [SG(C1H2O1),X(H2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| THE ONLY DIFFERENCE BETWEEN ECCENTRICS AND JOGGERS
-  parser_gaussian.py:0059         UNNAMED    no| IS THAT JOGGERS WEAR SWEATBANDS WHEN THEY RUN IN THE RAIN.
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.3 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:35 2013.
-  parser_gaussian.py:0059         UNNAMED    no| Initial command:
-  parser_gaussian.py:0059         UNNAMED    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059         UNNAMED    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34205.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34205.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| --------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g test geom=modela pop=(chelpg,readrad)
-  parser_gaussian.py:0028         UNNAMED    no| --------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=8,20=103,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:35 2013, MaxMem=           0 cpu:         0.1
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 6): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit with Brenneman grid
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:35 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:36 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:36 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:36 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    10 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Breneman (CHELPG) radii used.
-  parser_gaussian.py:0059         UNNAMED    no| Read replacement radii for each type of atom:
-  parser_gaussian.py:0059         UNNAMED    no| Rad(1) =   1.100000000000D+00
-  parser_gaussian.py:0059         UNNAMED    no| Atom Element Radius
-  parser_gaussian.py:0059         UNNAMED    no|    1     8    1.70
-  parser_gaussian.py:0059         UNNAMED    no|    2     1    1.10
-  parser_gaussian.py:0059         UNNAMED    no|    3     6    1.50
-  parser_gaussian.py:0059         UNNAMED    no|    4     1    1.10
-  parser_gaussian.py:0059         UNNAMED    no|    5     1    1.10
-  parser_gaussian.py:0059         UNNAMED    no|    6     1    1.10
-  parser_gaussian.py:0059         UNNAMED    no| Generate Potential Derived Charges using the Breneman model, NDens= 1.
-  parser_gaussian.py:0059         UNNAMED    no| Grid spacing= 0.300 Box extension= 2.800
-  parser_gaussian.py:0059         UNNAMED    no| NStep X,Y,Z=   27     27     26   Total possible points=       18954
-  parser_gaussian.py:0059         UNNAMED    no| Number of Points to Fit=    6496
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|    6496 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges to electrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00322 RRMS=   0.16730:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.732317
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.445208
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.248126
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.046970
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.003994
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.003994
-  parser_gaussian.py:0059         UNNAMED    no| Sum of ESP charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.287109
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.287109
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     1.6839     1.3558     0.0000 Tot=     2.1619
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:36 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| test geom=modela pop=(chelpg,readrad)\\Gaussian Test Job 200 (Part 6):
-  parser_gaussian.py:0059         UNNAMED    no|  Methanol charges via electrostatic potential fit with Brenneman grid\
-  parser_gaussian.py:0059         UNNAMED    no| \0,1\O\H,1,0.96\C,1,1.43,2,109.47122063\H,3,1.09,1,109.47122063,2,180.
-  parser_gaussian.py:0059         UNNAMED    no| ,0\H,3,1.09,1,109.47122063,2,-60.,0\H,3,1.09,1,109.47122063,2,60.,0\\V
-  parser_gaussian.py:0059         UNNAMED    no| ersion=ES64L-G09RevD.01\State=1-A'\HF=-114.396749\RMSD=8.389e-09\Dipol
-  parser_gaussian.py:0059         UNNAMED    no| e=0.7095186,0.,0.453236\Quadrupole=-1.2870475,-0.584731,1.8717785,0.,-
-  parser_gaussian.py:0059         UNNAMED    no| 1.0652141,0.\PG=CS [SG(C1H2O1),X(H2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| OPTIMIST - A PESSIMIST WHO LACKS EXPERIENCE
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.3 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:36 2013.
-  parser_gaussian.py:0059         UNNAMED    no| Initial command:
-  parser_gaussian.py:0059         UNNAMED    no| /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-34175.inp" -scrdir="/altuv/s0/scratch/"
-  parser_gaussian.py:0059         UNNAMED    no| Default CPUs for threads: 0
-  parser_gaussian.py:0059          newRun start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34206.
-  parser_gaussian.py:0028          header start| Entering Link 1 = /mf/frisch/g09/l1.exe PID=     34206.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
-  parser_gaussian.py:0028          header    no|            Gaussian, Inc.  All Rights Reserved.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This is part of the Gaussian(R) 09 program.  It is based on
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
-  parser_gaussian.py:0028          header    no| the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
-  parser_gaussian.py:0028          header    no| University), and the Gaussian 82(TM) system (copyright 1983,
-  parser_gaussian.py:0028          header    no| Carnegie Mellon University). Gaussian is a federally registered
-  parser_gaussian.py:0028          header    no| trademark of Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software contains proprietary and confidential information,
-  parser_gaussian.py:0028          header    no| including trade secrets, belonging to Gaussian, Inc.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| This software is provided under written license and may be
-  parser_gaussian.py:0028          header    no| used, copied, transmitted, or stored only in accord with that
-  parser_gaussian.py:0028          header    no| written license.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| The following legend is applicable only to US Government
-  parser_gaussian.py:0028          header    no| contracts under FAR:
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|                    RESTRICTED RIGHTS LEGEND
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Use, reproduction and disclosure by the US Government is
-  parser_gaussian.py:0028          header    no| subject to restrictions as set forth in subparagraphs (a)
-  parser_gaussian.py:0028          header    no| and (c) of the Commercial Computer Software - Restricted
-  parser_gaussian.py:0028          header    no| Rights clause in FAR 52.227-19.
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| Gaussian, Inc.
-  parser_gaussian.py:0028          header    no| 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no| Warning -- This program may not be used in any manner that
-  parser_gaussian.py:0028          header    no| competes with the business of Gaussian, Inc. or will provide
-  parser_gaussian.py:0028          header    no| assistance to any competitor of Gaussian, Inc.  The licensee
-  parser_gaussian.py:0028          header    no| of this program is prohibited from giving any competitor of
-  parser_gaussian.py:0028          header    no| Gaussian, Inc. access to this program.  By using this program,
-  parser_gaussian.py:0028          header    no| the user acknowledges that Gaussian, Inc. is engaged in the
-  parser_gaussian.py:0028          header    no| business of creating and licensing software in the field of
-  parser_gaussian.py:0028          header    no| computational chemistry and represents and warrants to the
-  parser_gaussian.py:0028          header    no| licensee that it is not a competitor of Gaussian, Inc. and that
-  parser_gaussian.py:0028          header    no| it will not use this program in any manner prohibited above.
-  parser_gaussian.py:0028          header    no| ---------------------------------------------------------------
-  parser_gaussian.py:0028          header    no|  
-  parser_gaussian.py:0028          header    no|
-  parser_gaussian.py:0025         UNNAMED start| Cite this work as:
-  parser_gaussian.py:0026         UNNAMED start| Gaussian 09, Revision D.01,
-  parser_gaussian.py:0026         UNNAMED    no| M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
-  parser_gaussian.py:0026         UNNAMED    no| M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
-  parser_gaussian.py:0026         UNNAMED    no| G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
-  parser_gaussian.py:0026         UNNAMED    no| A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
-  parser_gaussian.py:0026         UNNAMED    no| Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
-  parser_gaussian.py:0026         UNNAMED    no| J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
-  parser_gaussian.py:0026         UNNAMED    no| K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
-  parser_gaussian.py:0026         UNNAMED    no| K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
-  parser_gaussian.py:0026         UNNAMED    no| M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
-  parser_gaussian.py:0026         UNNAMED    no| V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
-  parser_gaussian.py:0026         UNNAMED    no| R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
-  parser_gaussian.py:0026         UNNAMED    no| P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
-  parser_gaussian.py:0026         UNNAMED    no| O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
-  parser_gaussian.py:0026         UNNAMED    no| and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
-  parser_gaussian.py:0026         UNNAMED    no| 
-  parser_gaussian.py:0027         UNNAMED start| ******************************************
-  parser_gaussian.py:0028         UNNAMED start| Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
-  parser_gaussian.py:0028         UNNAMED    no|                24-Apr-2013 
-  parser_gaussian.py:0028         UNNAMED    no| ******************************************
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BIND" = "yes"
-  parser_gaussian.py:0028         UNNAMED    no| SetSPE:  set environment variable "MP_BLIST" = "0"
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| #p rhf/3-21g test geom=modela pop=(chelpg,readatrad)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| 1/29=4,38=1/1;
-  parser_gaussian.py:0028         UNNAMED    no| 2/12=2,17=6,18=5,40=1/2;
-  parser_gaussian.py:0028         UNNAMED    no| 3/5=5,11=1,16=1,25=1,30=1,116=1/1,2,3;
-  parser_gaussian.py:0028         UNNAMED    no| 4//1;
-  parser_gaussian.py:0028         UNNAMED    no| 5/5=2,38=5/2;
-  parser_gaussian.py:0028         UNNAMED    no| 6/7=2,8=2,9=2,10=2,15=8,20=203,28=1/1,2;
-  parser_gaussian.py:0028         UNNAMED    no| 99/5=1,9=1/99;
-  parser_gaussian.py:0028         UNNAMED    no| Leave Link    1 at Wed Apr 24 20:08:36 2013, MaxMem=           0 cpu:         0.1
-  parser_gaussian.py:0028         UNNAMED    no| (Enter /mf/frisch/g09/l101.exe)
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0028         UNNAMED    no| Gaussian Test Job 200 (Part 7): Methanol charges via electrostatic pot
-  parser_gaussian.py:0028         UNNAMED    no| ential fit with Brenneman grid
-  parser_gaussian.py:0028         UNNAMED    no| ----------------------------------------------------------------------
-  parser_gaussian.py:0049 ge_multiplicity start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED start| Charge =  0 Multiplicity = 1
-  parser_gaussian.py:0046         UNNAMED    no| Model A used to generate z-matrix:
-  parser_gaussian.py:0046         UNNAMED    no| Short formula matrix:
-  parser_gaussian.py:0046         UNNAMED    no|   Atom   Symbol  Geom  Angle     Array F
-  parser_gaussian.py:0046         UNNAMED    no|    1        O    Bent         2   3   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    2        H                 1   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    3        C    Tetr         1   4   5   6
-  parser_gaussian.py:0046         UNNAMED    no|    4        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    5        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no|    6        H                 3   0   0   0
-  parser_gaussian.py:0046         UNNAMED    no| Generated Z-Matrix:
-  parser_gaussian.py:0048         UNNAMED start| O
-  parser_gaussian.py:0048         UNNAMED    no| H,1,R2
-  parser_gaussian.py:0048         UNNAMED    no| C,1,R3,2,A3
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R4,1,A4,2,180.,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,D5,0
-  parser_gaussian.py:0048         UNNAMED    no| H,3,R5,1,A5,2,-D5,0
-  parser_gaussian.py:0049         UNNAMED start|      Variables:
-  parser_gaussian.py:0049         UNNAMED    no| R2=0.96
-  parser_gaussian.py:0049         UNNAMED    no| R3=1.43
-  parser_gaussian.py:0049         UNNAMED    no| R4=1.09
-  parser_gaussian.py:0049         UNNAMED    no| R5=1.09
-  parser_gaussian.py:0049         UNNAMED    no| A3=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A4=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| A5=109.47122063
-  parser_gaussian.py:0049         UNNAMED    no| D5=-60.
-  parser_gaussian.py:0049         UNNAMED    no|     4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no| NAtoms=      6 NQM=        6 NQMF=       0 NMMI=      0 NMMIF=      0
-  parser_gaussian.py:0049         UNNAMED    no|                NMic=       0 NMicF=      0.
-  parser_gaussian.py:0049         UNNAMED    no|    4 tetrahedral angles replaced.
-  parser_gaussian.py:0049         UNNAMED    no|                    Isotopes and Nuclear Properties:
-  parser_gaussian.py:0049         UNNAMED    no| (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
-  parser_gaussian.py:0049         UNNAMED    no|  in nuclear magnetons)
-  parser_gaussian.py:0049         UNNAMED    no|
-  parser_gaussian.py:0049         UNNAMED    no|  Atom         1           2           3           4           5           6
-  parser_gaussian.py:0049         UNNAMED    no| IAtWgt=          16           1          12           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtmWgt=  15.9949146   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
-  parser_gaussian.py:0049         UNNAMED    no| NucSpn=           0           1           0           1           1           1
-  parser_gaussian.py:0049         UNNAMED    no| AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
-  parser_gaussian.py:0049         UNNAMED    no| NMagM=    0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
-  parser_gaussian.py:0049         UNNAMED    no| AtZNuc=   8.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
-  parser_gaussian.py:0049         UNNAMED    no| Leave Link  101 at Wed Apr 24 20:08:37 2013, MaxMem=    33554432 cpu:         0.2
-  parser_gaussian.py:0049         UNNAMED    no| (Enter /mf/frisch/g09/l202.exe)
-  parser_gaussian.py:0056        geometry start|                          Input orientation:                          
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056        geometry    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0056        geometry    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0056        geometry    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED start|      1          8           0        0.000000    0.000000    0.000000
-  parser_gaussian.py:0056         UNNAMED start|      2          1           0        0.000000    0.000000    0.960000
-  parser_gaussian.py:0056         UNNAMED start|      3          6           0        1.348217    0.000000   -0.476667
-  parser_gaussian.py:0056         UNNAMED start|      4          1           0        1.348217    0.000000   -1.566667
-  parser_gaussian.py:0056         UNNAMED start|      5          1           0        1.862048    0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED start|      6          1           0        1.862048   -0.889981   -0.113333
-  parser_gaussian.py:0056         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0056         UNNAMED    no|                    Distance matrix (angstroms):
-  parser_gaussian.py:0056         UNNAMED    no|                    1          2          3          4          5
-  parser_gaussian.py:0056         UNNAMED    no|     1  O    0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     2  H    0.960000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     3  C    1.430000   1.970203   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     4  H    2.066914   2.863867   1.090000   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     5  H    2.066914   2.326227   1.090000   1.779963   0.000000
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    2.066914   2.326227   1.090000   1.779963   1.779963
-  parser_gaussian.py:0056         UNNAMED    no|                    6
-  parser_gaussian.py:0056         UNNAMED    no|     6  H    0.000000
-  parser_gaussian.py:0059         UNNAMED start| Stoichiometry    CH4O
-  parser_gaussian.py:0059         UNNAMED    no| Framework group  CS[SG(CH2O),X(H2)]
-  parser_gaussian.py:0059         UNNAMED    no| Deg. of freedom     8
-  parser_gaussian.py:0059         UNNAMED    no| Full point group                 CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest Abelian subgroup         CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no| Largest concise Abelian subgroup CS      NOp   2
-  parser_gaussian.py:0059         UNNAMED    no|                         Standard orientation:                         
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Center     Atomic      Atomic             Coordinates (Angstroms)
-  parser_gaussian.py:0059         UNNAMED    no| Number     Number       Type             X           Y           Z
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|      1          8           0       -0.050283   -0.757778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      2          1           0        0.854814   -1.077778    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      3          6           0       -0.050283    0.672222    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      4          1           0       -1.077945    1.035556    0.000000
-  parser_gaussian.py:0059         UNNAMED    no|      5          1           0        0.463548    1.035556    0.889981
-  parser_gaussian.py:0059         UNNAMED    no|      6          1           0        0.463548    1.035556   -0.889981
-  parser_gaussian.py:0059         UNNAMED    no| ---------------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Rotational constants (GHZ):    128.2399015     24.6015268     23.7373947
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  202 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l301.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Standard basis: 3-21G (6D, 7F)
-  parser_gaussian.py:0059         UNNAMED    no| Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted cartesian basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are    20 symmetry adapted basis functions of A'  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no| There are     6 symmetry adapted basis functions of A"  symmetry.
-  parser_gaussian.py:0059         UNNAMED    no|    26 basis functions,    42 primitive gaussians,    26 cartesian basis functions
-  parser_gaussian.py:0059         UNNAMED    no|     9 alpha electrons        9 beta electrons
-  parser_gaussian.py:0059         UNNAMED    no|       nuclear repulsion energy        40.1988311633 Hartrees.
-  parser_gaussian.py:0059         UNNAMED    no| IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
-  parser_gaussian.py:0059         UNNAMED    no| NAtoms=    6 NActive=    6 NUniq=    5 SFac= 1.44D+00 NAtFMM=   60 NAOKFM=F Big=F
-  parser_gaussian.py:0059         UNNAMED    no| Integral buffers will be    131072 words long.
-  parser_gaussian.py:0059         UNNAMED    no| Raffenetti 1 integral format.
-  parser_gaussian.py:0059         UNNAMED    no| Two-electron integral symmetry is turned on.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  301 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l302.exe)
-  parser_gaussian.py:0059         UNNAMED    no| NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
-  parser_gaussian.py:0059         UNNAMED    no|         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integrals computed using PRISM.
-  parser_gaussian.py:0059         UNNAMED    no| One-electron integral symmetry used in STVInt
-  parser_gaussian.py:0059         UNNAMED    no| NBasis=    26 RedAO= T EigKep=  3.91D-02  NBF=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| NBsUse=    26 1.00D-06 EigRej= -1.00D+00 NBFU=    20     6
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  302 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l303.exe)
-  parser_gaussian.py:0059         UNNAMED    no| DipDrv:  MaxL=1.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  303 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.0
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l401.exe)
-  parser_gaussian.py:0059         UNNAMED    no| ExpMin= 1.83D-01 ExpMax= 3.22D+02 ExpMxC= 3.22D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
-  parser_gaussian.py:0059         UNNAMED    no| HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
-  parser_gaussian.py:0059         UNNAMED    no| ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no| Harris En= -114.568817072228    
-  parser_gaussian.py:0059         UNNAMED    no| JPrj=0 DoOrth=F DoCkMO=F.
-  parser_gaussian.py:0059         UNNAMED    no| Initial guess orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A") (A') (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state of the initial guess is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  401 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l502.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Closed shell SCF:
-  parser_gaussian.py:0059         UNNAMED    no| Using DIIS extrapolation, IDIIS=  1040.
-  parser_gaussian.py:0059         UNNAMED    no| Integral symmetry usage will be decided dynamically.
-  parser_gaussian.py:0059         UNNAMED    no| Keep R1 ints in memory in symmetry-blocked form, NReq=890336.
-  parser_gaussian.py:0059         UNNAMED    no| IVT=       20986 IEndB=       20986 NGot=    33554432 MDV=    33498375
-  parser_gaussian.py:0059         UNNAMED    no| LenX=    33498375 LenY=    33497258
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on MAX density matrix=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| Requested convergence on             energy=1.00D-06.
-  parser_gaussian.py:0059         UNNAMED    no| No special actions if energy rises.
-  parser_gaussian.py:0059         UNNAMED    no| FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
-  parser_gaussian.py:0059         UNNAMED    no|         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
-  parser_gaussian.py:0059         UNNAMED    no|         NMat0=    1 NMatS0=    351 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
-  parser_gaussian.py:0059         UNNAMED    no| Petite list used in FoFCou.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   1  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.309036380068    
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 5.76D-02 at cycle   1 NSaved=   1.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 1 IEnMin= 1 EnMin= -114.309036380068     IErMin= 1 ErrMin= 5.76D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 5.76D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.681 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| GapD=    0.681 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.18D-02 MaxDP=6.74D-02              OVMax= 8.45D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   2  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.383966129652     Delta-E=       -0.074929749584 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.84D-02 at cycle   2 NSaved=   2.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 2 IEnMin= 2 EnMin= -114.383966129652     IErMin= 2 ErrMin= 2.84D-02
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.32D-01
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 7.16D-01 WtEn= 2.84D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.237D+00 0.763D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.170D+00 0.830D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.713 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=4.01D-03 MaxDP=2.49D-02 DE=-7.49D-02 OVMax= 2.22D-02
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   3  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396116257297     Delta-E=       -0.012150127645 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 6.24D-03 at cycle   3 NSaved=   3.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 3 IEnMin= 3 EnMin= -114.396116257297     IErMin= 3 ErrMin= 6.24D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 6.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-04 BMatP= 1.97D-02
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.38D-01 WtEn= 6.24D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.151D-01 0.141D+00 0.875D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.142D-01 0.132D+00 0.882D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.693 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.68D-04 MaxDP=5.74D-03 DE=-1.22D-02 OVMax= 6.26D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   4  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396717982642     Delta-E=       -0.000601725344 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.29D-03 at cycle   4 NSaved=   4.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 4 IEnMin= 4 EnMin= -114.396717982642     IErMin= 4 ErrMin= 1.29D-03
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 8.87D-04
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.767D-02 0.111D-01 0.221D+00 0.775D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.757D-02 0.110D-01 0.218D+00 0.778D+00
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.72D-04 MaxDP=1.04D-03 DE=-6.02D-04 OVMax= 1.28D-03
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   5  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396746931188     Delta-E=       -0.000028948547 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 2.35D-04 at cycle   5 NSaved=   5.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 5 IEnMin= 5 EnMin= -114.396746931188     IErMin= 5 ErrMin= 2.35D-04
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 3.72D-05
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.255D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.254D-02-0.144D-01-0.103D+00-0.135D+00 0.125D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=7.30D-05 MaxDP=3.57D-04 DE=-2.89D-05 OVMax= 5.04D-04
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   6  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748964007     Delta-E=       -0.000002032819 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.17D-05 at cycle   6 NSaved=   6.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 6 IEnMin= 6 EnMin= -114.396748964007     IErMin= 6 ErrMin= 4.17D-05
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-08 BMatP= 1.20D-06
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.633D-03 0.408D-02 0.283D-01 0.226D-01-0.368D+00 0.131D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.06D-05 MaxDP=5.86D-05 DE=-2.03D-06 OVMax= 6.26D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   7  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991047     Delta-E=       -0.000000027040 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 7 IEnMin= 7 EnMin= -114.396748991047     IErMin= 7 ErrMin= 3.17D-06
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.36D-08
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.135D-03-0.894D-03-0.631D-02-0.439D-02 0.845D-01-0.375D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=1.57D-06 MaxDP=8.59D-06 DE=-2.70D-08 OVMax= 1.21D-05
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   8  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991572     Delta-E=       -0.000000000525 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 4.88D-07 at cycle   8 NSaved=   8.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 8 IEnMin= 8 EnMin= -114.396748991572     IErMin= 8 ErrMin= 4.88D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 4.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.61D-12 BMatP= 2.03D-10
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.201D-04 0.135D-03 0.964D-03 0.293D-03-0.126D-01 0.683D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.356D+00 0.130D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=2.57D-07 MaxDP=1.07D-06 DE=-5.25D-10 OVMax= 2.52D-06
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle   9  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000017 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved= 9 IEnMin= 9 EnMin= -114.396748991590     IErMin= 9 ErrMin= 1.25D-07
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 7.61D-12
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com:  0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.531D-05-0.365D-04-0.260D-03-0.973D-05 0.331D-02-0.199D-01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:      0.122D+00-0.596D+00 0.149D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=6.25D-08 MaxDP=5.39D-07 DE=-1.73D-11 OVMax= 7.11D-07
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Cycle  10  Pass 1  IDiag  1:
-  parser_gaussian.py:0059         UNNAMED    no| E= -114.396748991590     Delta-E=       -0.000000000001 Rises=F Damp=F
-  parser_gaussian.py:0059         UNNAMED    no| DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
-  parser_gaussian.py:0059         UNNAMED    no| NSaved=10 IEnMin=10 EnMin= -114.396748991590     IErMin=10 ErrMin= 1.52D-08
-  parser_gaussian.py:0059         UNNAMED    no| ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-15 BMatP= 2.65D-13
-  parser_gaussian.py:0059         UNNAMED    no| IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff-Com: -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.101D-05 0.694D-05 0.508D-04-0.115D-04-0.643D-03 0.431D-02
-  parser_gaussian.py:0059         UNNAMED    no| Coeff:     -0.288D-01 0.155D+00-0.495D+00 0.136D+01
-  parser_gaussian.py:0059         UNNAMED    no| Gap=     0.695 Goal=   None    Shift=    0.000
-  parser_gaussian.py:0059         UNNAMED    no| RMSDP=8.39D-09 MaxDP=6.53D-08 DE=-8.81D-13 OVMax= 8.64D-08
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| SCF Done:  E(RHF) =  -114.396748992     A.U. after   10 cycles
-  parser_gaussian.py:0059         UNNAMED    no|            NFock= 10  Conv=0.84D-08     -V/T= 2.0026
-  parser_gaussian.py:0059         UNNAMED    no| KE= 1.140997501530D+02 PE=-3.499157053050D+02 EE= 8.122037499706D+01
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  502 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l601.exe)
-  parser_gaussian.py:0059         UNNAMED    no| Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Population analysis using the SCF density.
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Orbital symmetries:
-  parser_gaussian.py:0059         UNNAMED    no|       Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A")
-  parser_gaussian.py:0059         UNNAMED    no|       Virtual   (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no|                 (A") (A') (A') (A") (A') (A') (A')
-  parser_gaussian.py:0059         UNNAMED    no| The electronic state is 1-A'.
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --  -20.43245 -11.21389  -1.33982  -0.92345  -0.66884
-  parser_gaussian.py:0059         UNNAMED    no| Alpha  occ. eigenvalues --   -0.61671  -0.58285  -0.47795  -0.43163
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.26338   0.31625   0.34844   0.35134   0.42610
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    0.95292   0.96460   0.96971   1.24569   1.29781
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    1.31567   1.36267   1.87928   1.88085   1.98004
-  parser_gaussian.py:0059         UNNAMED    no| Alpha virt. eigenvalues --    2.14734   3.34419
-  parser_gaussian.py:0059         UNNAMED    no|          Condensed to atoms (all electrons):
-  parser_gaussian.py:0059         UNNAMED    no|               1          2          3          4          5          6
-  parser_gaussian.py:0059         UNNAMED    no|     1  O    8.286163   0.269799   0.225875  -0.025768  -0.036490  -0.036490
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.269799   0.407528  -0.050058   0.004422  -0.003083  -0.003083
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.225875  -0.050058   5.001248   0.371574   0.355156   0.355156
-  parser_gaussian.py:0059         UNNAMED    no|     4  H   -0.025768   0.004422   0.371574   0.499730  -0.032717  -0.032717
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.036490  -0.003083   0.355156  -0.032717   0.582797  -0.041707
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.036490  -0.003083   0.355156  -0.032717  -0.041707   0.582797
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.683087
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.374476
-  parser_gaussian.py:0059         UNNAMED    no|     3  C   -0.258951
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.215476
-  parser_gaussian.py:0059         UNNAMED    no|     5  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no|     6  H    0.176043
-  parser_gaussian.py:0059         UNNAMED    no| Sum of Mulliken charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Mulliken charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.308611
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.308611
-  parser_gaussian.py:0059         UNNAMED    no| Electronic spatial extent (au):  <R**2>=             84.1384
-  parser_gaussian.py:0059         UNNAMED    no| Charge=              0.0000 electrons
-  parser_gaussian.py:0059         UNNAMED    no| Dipole moment (field-independent basis, Debye):
-  parser_gaussian.py:0059         UNNAMED    no|    X=              1.6873    Y=              1.3163    Z=              0.0000  Tot=              2.1400
-  parser_gaussian.py:0059         UNNAMED    no| Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=            -11.5600   YY=            -13.0635   ZZ=            -13.4915
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Traceless Quadrupole moment (field-independent basis, Debye-Ang):
-  parser_gaussian.py:0059         UNNAMED    no|   XX=              1.1450   YY=             -0.3585   ZZ=             -0.7865
-  parser_gaussian.py:0059         UNNAMED    no|   XY=             -2.4496   XZ=              0.0000   YZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Octapole moment (field-independent basis, Debye-Ang**2):
-  parser_gaussian.py:0059         UNNAMED    no|  XXX=              1.0868  YYY=             -3.8959  ZZZ=              0.0000  XYY=              2.2664
-  parser_gaussian.py:0059         UNNAMED    no|  XXY=             -2.1978  XXZ=              0.0000  XZZ=              0.6691  YZZ=             -0.7702
-  parser_gaussian.py:0059         UNNAMED    no|  YYZ=              0.0000  XYZ=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| Hexadecapole moment (field-independent basis, Debye-Ang**3):
-  parser_gaussian.py:0059         UNNAMED    no| XXXX=            -17.5557 YYYY=            -59.6964 ZZZZ=            -17.8826 XXXY=             -1.0941
-  parser_gaussian.py:0059         UNNAMED    no| XXXZ=              0.0000 YYYX=             -1.5256 YYYZ=              0.0000 ZZZX=              0.0000
-  parser_gaussian.py:0059         UNNAMED    no| ZZZY=              0.0000 XXYY=            -11.3577 XXZZ=             -6.2306 YYZZ=            -13.1779
-  parser_gaussian.py:0059         UNNAMED    no| XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.8534
-  parser_gaussian.py:0059         UNNAMED    no| N-N= 4.019883116335D+01 E-N=-3.499157053808D+02  KE= 1.140997501530D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A'   KE= 1.074732867576D+02
-  parser_gaussian.py:0059         UNNAMED    no| Symmetry A"   KE= 6.626463395432D+00
-  parser_gaussian.py:0059         UNNAMED    no| No NMR shielding tensors so no spin-rotation constants.
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  601 at Wed Apr 24 20:08:38 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l602.exe)
-  parser_gaussian.py:0059         UNNAMED    no| FitSet:  NAtFit=     6 NAtPot=     6 NAtFrz=     0 MDM=    10 TotChg=   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| Breneman (CHELPG) radii used.
-  parser_gaussian.py:0059         UNNAMED    no| Read replacement radii atom by atom:
-  parser_gaussian.py:0059         UNNAMED    no| Rad(2) =   1.100000000000D+00
-  parser_gaussian.py:0059         UNNAMED    no| Atom Element Radius
-  parser_gaussian.py:0059         UNNAMED    no|    1     8    1.70
-  parser_gaussian.py:0059         UNNAMED    no|    2     1    1.10
-  parser_gaussian.py:0059         UNNAMED    no|    3     6    1.50
-  parser_gaussian.py:0059         UNNAMED    no|    4     1    1.45
-  parser_gaussian.py:0059         UNNAMED    no|    5     1    1.45
-  parser_gaussian.py:0059         UNNAMED    no|    6     1    1.45
-  parser_gaussian.py:0059         UNNAMED    no| Generate Potential Derived Charges using the Breneman model, NDens= 1.
-  parser_gaussian.py:0059         UNNAMED    no| Grid spacing= 0.300 Box extension= 2.800
-  parser_gaussian.py:0059         UNNAMED    no| NStep X,Y,Z=   27     27     26   Total possible points=       18954
-  parser_gaussian.py:0059         UNNAMED    no| Number of Points to Fit=    6030
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|            Electrostatic Properties Using The SCF Density
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| **********************************************************************
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    1 is at  -0.050283 -0.757778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    2 is at   0.854814 -1.077778  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    3 is at  -0.050283  0.672222  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    4 is at  -1.077945  1.035556  0.000000
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    5 is at   0.463548  1.035556  0.889981
-  parser_gaussian.py:0059         UNNAMED    no|       Atomic Center    6 is at   0.463548  1.035556 -0.889981
-  parser_gaussian.py:0059         UNNAMED    no|    6030 points will be used for fitting atomic charges
-  parser_gaussian.py:0059         UNNAMED    no| Fitting point charges to electrostatic potential
-  parser_gaussian.py:0059         UNNAMED    no| Charges from ESP fit, RMS=   0.00227 RRMS=   0.11905:
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.745957
-  parser_gaussian.py:0059         UNNAMED    no|     2  H    0.449455
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.321881
-  parser_gaussian.py:0059         UNNAMED    no|     4  H    0.027279
-  parser_gaussian.py:0059         UNNAMED    no|     5  H   -0.026329
-  parser_gaussian.py:0059         UNNAMED    no|     6  H   -0.026329
-  parser_gaussian.py:0059         UNNAMED    no| Sum of ESP charges =   0.00000
-  parser_gaussian.py:0059         UNNAMED    no| ESP charges with hydrogens summed into heavy atoms:
-  parser_gaussian.py:0059         UNNAMED    no|               1
-  parser_gaussian.py:0059         UNNAMED    no|     1  O   -0.296503
-  parser_gaussian.py:0059         UNNAMED    no|     3  C    0.296503
-  parser_gaussian.py:0059         UNNAMED    no| Charge=   0.00000 Dipole=     1.6893     1.3014     0.0000 Tot=     2.1325
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|              Electrostatic Properties (Atomic Units)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    Center     Electric         -------- Electric Field --------
-  parser_gaussian.py:0059         UNNAMED    no|               Potential          X             Y             Z
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no|    1 Atom    -22.212822
-  parser_gaussian.py:0059         UNNAMED    no|    2 Atom     -0.992056
-  parser_gaussian.py:0059         UNNAMED    no|    3 Atom    -14.586733
-  parser_gaussian.py:0059         UNNAMED    no|    4 Atom     -1.096839
-  parser_gaussian.py:0059         UNNAMED    no|    5 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no|    6 Atom     -1.103084
-  parser_gaussian.py:0059         UNNAMED    no| -----------------------------------------------------------------
-  parser_gaussian.py:0059         UNNAMED    no| Leave Link  602 at Wed Apr 24 20:08:39 2013, MaxMem=    33554432 cpu:         0.1
-  parser_gaussian.py:0059         UNNAMED    no| (Enter /mf/frisch/g09/l9999.exe)
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| Test job not archived.
-  parser_gaussian.py:0059         UNNAMED    no| 1\1\GINC-ALTUV\SP\RHF\3-21G\C1H4O1\FRISCH\24-Apr-2013\0\\#p rhf/3-21g 
-  parser_gaussian.py:0059         UNNAMED    no| test geom=modela pop=(chelpg,readatrad)\\Gaussian Test Job 200 (Part 7
-  parser_gaussian.py:0059         UNNAMED    no| ): Methanol charges via electrostatic potential fit with Brenneman gri
-  parser_gaussian.py:0059         UNNAMED    no| d\\0,1\O\H,1,0.96\C,1,1.43,2,109.47122063\H,3,1.09,1,109.47122063,2,18
-  parser_gaussian.py:0059         UNNAMED    no| 0.,0\H,3,1.09,1,109.47122063,2,-60.,0\H,3,1.09,1,109.47122063,2,60.,0\
-  parser_gaussian.py:0059         UNNAMED    no| \Version=ES64L-G09RevD.01\State=1-A'\HF=-114.396749\RMSD=8.389e-09\Dip
-  parser_gaussian.py:0059         UNNAMED    no| ole=0.7095186,0.,0.453236\Quadrupole=-1.2870475,-0.584731,1.8717785,0.
-  parser_gaussian.py:0059         UNNAMED    no| ,-1.0652141,0.\PG=CS [SG(C1H2O1),X(H2)]\\@
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no|
-  parser_gaussian.py:0059         UNNAMED    no| ERROR IS A HARDY PLANT... IT FLOURISHETH IN EVERY SOIL.
-  parser_gaussian.py:0059         UNNAMED    no|            MARTIN FARQUHAR TUPPER
-  parser_gaussian.py:0059         UNNAMED    no| Job cpu time:       0 days  0 hours  0 minutes  1.3 seconds.
-  parser_gaussian.py:0059         UNNAMED    no| File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
-  parser_gaussian.py:0059         UNNAMED    no| Normal termination of Gaussian 09 at Wed Apr 24 20:08:39 2013.
-- 
GitLab