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 Entering Gaussian System, Link 0=g09
 Initial command:
 /mf/frisch/g09/l1.exe "/altuv/s0/scratch/Gau-11817.inp" -scrdir="/altuv/s0/scratch/"
 Default CPUs for threads: 0
 Entering Link 1 = /mf/frisch/g09/l1.exe PID=     11818.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                24-Apr-2013 
 ******************************************
 SetSPE:  set environment variable "MP_BIND" = "yes"
 SetSPE:  set environment variable "MP_BLIST" = "0"
 ----------------------------------------------------------------------
 #P NONSTD OLDCONSTANTS 1//1; 2//2; 3/5=1,6=6,7=1,11=0,25=14/1,2,3,11,1
 4; 4//1; 5/6=7/2; 6//1;
 ----------------------------------------------------------------------
 1//1;
 2//2;
 3/5=1,6=6,7=1,25=14/1,2,3,11,14;
 4//1;
 5/6=7/2;
 6//1;
 99//99;
 Using 1979 physical constants.
 Leave Link    1 at Wed Apr 24 18:59:03 2013, MaxMem=           0 cpu:         0.0
 (Enter /mf/frisch/g09/l101.exe)
 -------------------------------------------------
 Gaussian Test Job 07 WATER 6-31G* STANDARD MODEL.
 -------------------------------------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 O
 H                    1     0.96 
 H                    1     0.96     2     109.47122 
 
     1 tetrahedral angles replaced.
 NAtoms=      3 NQM=        3 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
    1 tetrahedral angles replaced.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3
 IAtWgt=          16           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250
 NucSpn=           0           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000
 Leave Link  101 at Wed Apr 24 18:59:03 2013, MaxMem=    33554432 cpu:         0.1
 (Enter /mf/frisch/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        0.000000    0.000000    0.000000
      2          1           0        0.000000    0.000000    0.960000
      3          1           0        0.905097    0.000000   -0.320000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  O    0.000000
     2  H    0.960000   0.000000
     3  H    0.960000   1.567673   0.000000
 Stoichiometry    H2O
 Framework group  C2V[C2(O),SGV(H2)]
 Deg. of freedom     2
 Full point group                 C2V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        0.000000    0.000000    0.110851
      2          1           0        0.000000    0.783837   -0.443405
      3          1           0        0.000000   -0.783837   -0.443405
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    919.0227817    408.0852316    282.5991712
 Leave Link  202 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.0
 (Enter /mf/frisch/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    10 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     1 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     3 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     5 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    10 symmetry adapted basis functions of A1  symmetry.
 There are     1 symmetry adapted basis functions of A2  symmetry.
 There are     3 symmetry adapted basis functions of B1  symmetry.
 There are     5 symmetry adapted basis functions of B2  symmetry.
    19 basis functions,    36 primitive gaussians,    19 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy         9.1571733387 Hartrees.
 IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
 Leave Link  301 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.1
 (Enter /mf/frisch/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    19 RedAO= T EigKep=  4.18D-02  NBF=    10     1     3     5
 NBsUse=    19 1.00D-06 EigRej= -1.00D+00 NBFU=    10     1     3     5
 Leave Link  302 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.2
 (Enter /mf/frisch/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.0
 (Enter /mf/frisch/g09/l311.exe)
 Out2e will use a cutoff of  1.00D-10
 Standard cutoffs selected in Shell.
         2260 integrals produced for a total of         2260.
 Shell:  FmtGen was called      926 times.
 Leave Link  311 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.0
 (Enter /mf/frisch/g09/l314.exe)
 Phoenix requires     264736 words of memory.
 Out2e will use a cutoff of  1.00D-10
 Standard cutoffs used.
 PQCut1= 1.00D-20 PQCut2= 1.00D-20 PQCut3= 1.00D+02
         5303 integrals produced for a total of         7563.
 PHOENIX SHELL PASSES=     260  NUMBER PROCESSED=     120
          FAST PASSES=     260
 Leave Link  314 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.1
 (Enter /mf/frisch/g09/l401.exe)
 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Harris En= -76.1024596562479    
 JPrj=0 DoOrth=F DoCkMO=F.
 Initial guess orbital symmetries:
       Occupied  (A1) (A1) (B2) (A1) (B1)
       Virtual   (A1) (B2) (B2) (A1) (B1) (A1) (B2) (A1) (A2) (A1)
                 (B1) (A1) (B2) (A1)
 The electronic state of the initial guess is 1-A1.
 Leave Link  401 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.1
 (Enter /mf/frisch/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Unsorted integral processing.
 Two-electron integral symmetry not used.
 Two-electron integrals will be kept in memory, NGetB=      151215.
 IVT=      265184 IEndB=      151215 NGot=    33554432 MDV=    33534289
 LenX=    33272145 LenY=    33550510
 Requested convergence on RMS density matrix=1.00D-07 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-05.
 Requested convergence on             energy=1.00D-05.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -75.9261692957894    
 DIIS: error= 8.36D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -75.9261692957894     IErMin= 1 ErrMin= 8.36D-02
 ErrMax= 8.36D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-01 BMatP= 1.34D-01
 IDIUse=3 WtCom= 1.64D-01 WtEn= 8.36D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.585 Goal=   None    Shift=    0.000
 GapD=    0.585 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
 RMSDP=1.55D-02 MaxDP=1.22D-01              OVMax= 1.25D-01

 Cycle   2  Pass 1  IDiag  1:
 E= -75.9830801592978     Delta-E=       -0.056910863508 Rises=F Damp=F
 DIIS: error= 5.13D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -75.9830801592978     IErMin= 2 ErrMin= 5.13D-02
 ErrMax= 5.13D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-02 BMatP= 1.34D-01
 IDIUse=3 WtCom= 4.87D-01 WtEn= 5.13D-01
 Coeff-Com:  0.337D+00 0.663D+00
 Coeff-En:   0.923D-01 0.908D+00
 Coeff:      0.211D+00 0.789D+00
 Gap=     0.729 Goal=   None    Shift=    0.000
 RMSDP=7.58D-03 MaxDP=5.90D-02 DE=-5.69D-02 OVMax= 4.89D-02

 Cycle   3  Pass 1  IDiag  1:
 E= -76.0080671129276     Delta-E=       -0.024986953630 Rises=F Damp=F
 DIIS: error= 1.30D-02 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -76.0080671129276     IErMin= 3 ErrMin= 1.30D-02
 ErrMax= 1.30D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-03 BMatP= 4.09D-02
 IDIUse=3 WtCom= 8.70D-01 WtEn= 1.30D-01
 Coeff-Com: -0.258D-01 0.170D+00 0.855D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.224D-01 0.148D+00 0.874D+00
 Gap=     0.702 Goal=   None    Shift=    0.000
 RMSDP=1.56D-03 MaxDP=1.27D-02 DE=-2.50D-02 OVMax= 1.33D-02

 Cycle   4  Pass 1  IDiag  1:
 E= -76.0098437119311     Delta-E=       -0.001776599004 Rises=F Damp=F
 DIIS: error= 1.65D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -76.0098437119311     IErMin= 4 ErrMin= 1.65D-03
 ErrMax= 1.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-05 BMatP= 2.48D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.65D-02
 Coeff-Com:  0.606D-02-0.796D-01-0.239D+00 0.131D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.596D-02-0.783D-01-0.235D+00 0.131D+01
 Gap=     0.706 Goal=   None    Shift=    0.000
 RMSDP=2.28D-04 MaxDP=2.16D-03 DE=-1.78D-03 OVMax= 1.76D-03

 Cycle   5  Pass 1  IDiag  1:
 E= -76.0098681946184     Delta-E=       -0.000024482687 Rises=F Damp=F
 DIIS: error= 1.51D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -76.0098681946184     IErMin= 5 ErrMin= 1.51D-04
 ErrMax= 1.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-07 BMatP= 2.72D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.51D-03
 Coeff-Com: -0.855D-04 0.757D-02 0.134D-01-0.226D+00 0.121D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.853D-04 0.756D-02 0.134D-01-0.226D+00 0.121D+01
 Gap=     0.706 Goal=   None    Shift=    0.000
 RMSDP=4.89D-05 MaxDP=2.92D-04 DE=-2.45D-05 OVMax= 4.41D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -76.0098686709459     Delta-E=       -0.000000476328 Rises=F Damp=F
 DIIS: error= 2.64D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -76.0098686709459     IErMin= 6 ErrMin= 2.64D-05
 ErrMax= 2.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.96D-09 BMatP= 1.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.237D-03 0.175D-02 0.747D-02-0.802D-02-0.288D+00 0.129D+01
 Coeff:     -0.237D-03 0.175D-02 0.747D-02-0.802D-02-0.288D+00 0.129D+01
 Gap=     0.706 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=6.82D-05 DE=-4.76D-07 OVMax= 1.17D-04

 Cycle   7  Pass 1  IDiag  1:
 E= -76.0098686937513     Delta-E=       -0.000000022805 Rises=F Damp=F
 DIIS: error= 5.96D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -76.0098686937513     IErMin= 7 ErrMin= 5.96D-06
 ErrMax= 5.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-10 BMatP= 7.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-03-0.974D-03-0.361D-02 0.104D-01 0.952D-01-0.563D+00
 Coeff-Com:  0.146D+01
 Coeff:      0.101D-03-0.974D-03-0.361D-02 0.104D-01 0.952D-01-0.563D+00
 Coeff:      0.146D+01
 Gap=     0.706 Goal=   None    Shift=    0.000
 RMSDP=1.88D-06 MaxDP=1.50D-05 DE=-2.28D-08 OVMax= 1.74D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -76.0098686945330     Delta-E=       -0.000000000782 Rises=F Damp=F
 DIIS: error= 9.11D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -76.0098686945330     IErMin= 8 ErrMin= 9.11D-07
 ErrMax= 9.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-12 BMatP= 2.98D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.149D-03 0.490D-03-0.239D-02-0.577D-02 0.612D-01
 Coeff-Com: -0.288D+00 0.123D+01
 Coeff:     -0.116D-04 0.149D-03 0.490D-03-0.239D-02-0.577D-02 0.612D-01
 Coeff:     -0.288D+00 0.123D+01
 Gap=     0.706 Goal=   None    Shift=    0.000
 RMSDP=2.64D-07 MaxDP=1.48D-06 DE=-7.82D-10 OVMax= 2.35D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -76.0098686945482     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 9.32D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -76.0098686945482     IErMin= 9 ErrMin= 9.32D-08
 ErrMax= 9.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-13 BMatP= 6.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.886D-06-0.197D-04-0.553D-04 0.445D-03-0.471D-03-0.536D-02
 Coeff-Com:  0.524D-01-0.369D+00 0.132D+01
 Coeff:      0.886D-06-0.197D-04-0.553D-04 0.445D-03-0.471D-03-0.536D-02
 Coeff:      0.524D-01-0.369D+00 0.132D+01
 Gap=     0.706 Goal=   None    Shift=    0.000
 RMSDP=4.78D-08 MaxDP=2.62D-07 DE=-1.52D-11 OVMax= 4.28D-07

 SCF Done:  E(RHF) =  -76.0098686945     A.U. after    9 cycles
            NFock=  9  Conv=0.48D-07     -V/T= 2.0028
 KE= 7.580134774520D+01 PE=-1.988071110033D+02 EE= 3.783872122489D+01
 Leave Link  502 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.0
 (Enter /mf/frisch/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A1) (A1) (B2) (A1) (B1)
       Virtual   (A1) (B2) (B2) (A1) (A1) (B1) (B2) (A1) (A2) (A1)
                 (B1) (A1) (B2) (A1)
 The electronic state is 1-A1.
 Alpha  occ. eigenvalues --  -20.55795  -1.33613  -0.71418  -0.56029  -0.49560
 Alpha virt. eigenvalues --    0.21060   0.30390   1.04582   1.11665   1.15957
 Alpha virt. eigenvalues --    1.16928   1.38461   1.41676   2.03065   2.03552
 Alpha virt. eigenvalues --    2.07411   2.62752   2.94207   3.97813
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                        (A1)--O   (A1)--O   (B2)--O   (A1)--O   (B1)--O
     Eigenvalues --   -20.55795  -1.33613  -0.71418  -0.56029  -0.49560
   1 1   O  1S          0.99463  -0.21029   0.00000  -0.07006   0.00000
   2        2S          0.02114   0.47674   0.00000   0.15689   0.00000
   3        2PX         0.00000   0.00000   0.00000   0.00000   0.63896
   4        2PY         0.00000   0.00000   0.50492   0.00000   0.00000
   5        2PZ        -0.00130  -0.08745   0.00000   0.56095   0.00000
   6        3S          0.00416   0.44270   0.00000   0.31456   0.00000
   7        3PX         0.00000   0.00000   0.00000   0.00000   0.51224
   8        3PY         0.00000   0.00000   0.30371   0.00000   0.00000
   9        3PZ         0.00045  -0.04846   0.00000   0.41268   0.00000
  10        4XX        -0.00393  -0.00119   0.00000   0.01143   0.00000
  11        4YY        -0.00422   0.02852   0.00000  -0.00063   0.00000
  12        4ZZ        -0.00408   0.01898   0.00000  -0.04411   0.00000
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00000  -0.03242
  15        4YZ         0.00000   0.00000  -0.04935   0.00000   0.00000
  16 2   H  1S          0.00033   0.12927   0.23261  -0.13733   0.00000
  17        2S         -0.00022   0.00228   0.10638  -0.08522   0.00000
  18 3   H  1S          0.00033   0.12927  -0.23261  -0.13733   0.00000
  19        2S         -0.00022   0.00228  -0.10638  -0.08522   0.00000
                           6         7         8         9        10
                        (A1)--V   (B2)--V   (B2)--V   (A1)--V   (A1)--V
     Eigenvalues --     0.21060   0.30390   1.04582   1.11665   1.15957
   1 1   O  1S         -0.10244   0.00000   0.00000   0.02986  -0.04523
   2        2S          0.06086   0.00000   0.00000  -0.68284  -0.52382
   3        2PX         0.00000   0.00000   0.00000   0.00000   0.00000
   4        2PY         0.00000  -0.32768  -0.12005   0.00000   0.00000
   5        2PZ        -0.21160   0.00000   0.00000  -0.09661  -0.85201
   6        3S          1.42064   0.00000   0.00000   1.04248   1.21489
   7        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        3PY         0.00000  -0.84514  -0.66945   0.00000   0.00000
   9        3PZ        -0.48764   0.00000   0.00000   0.53216   0.62788
  10        4XX        -0.07082   0.00000   0.00000  -0.33264  -0.13191
  11        4YY        -0.05622   0.00000   0.00000  -0.01023  -0.32038
  12        4ZZ        -0.04522   0.00000   0.00000  -0.23411  -0.21240
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.02295  -0.20910   0.00000   0.00000
  16 2   H  1S         -0.06031   0.04533   0.84580   0.79378  -0.35940
  17        2S         -1.04330   1.37930  -0.43891  -0.54963   0.09202
  18 3   H  1S         -0.06031  -0.04533  -0.84580   0.79378  -0.35940
  19        2S         -1.04330  -1.37930   0.43891  -0.54963   0.09202
     Density Matrix:
                           1         2         3         4         5
   1 1   O  1S          2.07684
   2        2S         -0.18044   0.50469
   3        2PX         0.00000   0.00000   0.81653
   4        2PY         0.00000   0.00000   0.00000   0.50989
   5        2PZ        -0.04442   0.09258   0.00000   0.00000   0.64463
   6        3S         -0.22198   0.52099   0.00000   0.00000   0.27547
   7        3PX         0.00000   0.00000   0.65460   0.00000   0.00000
   8        3PY         0.00000   0.00000   0.00000   0.30670   0.00000
   9        3PZ        -0.03655   0.08331   0.00000   0.00000   0.47147
  10        4XX        -0.00893   0.00229   0.00000   0.00000   0.01304
  11        4YY        -0.02030   0.02682   0.00000   0.00000  -0.00569
  12        4ZZ        -0.00992   0.00408   0.00000   0.00000  -0.05280
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000  -0.04143   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000  -0.04983   0.00000
  16 2   H  1S         -0.03446   0.08018   0.00000   0.23490  -0.17668
  17        2S          0.01054  -0.02458   0.00000   0.10742  -0.09600
  18 3   H  1S         -0.03446   0.08018   0.00000  -0.23490  -0.17668
  19        2S          0.01054  -0.02458   0.00000  -0.10742  -0.09600
                           6         7         8         9        10
   6        3S          0.58990
   7        3PX         0.00000   0.52478
   8        3PY         0.00000   0.00000   0.18448
   9        3PZ         0.21673   0.00000   0.00000   0.34531
  10        4XX         0.00611   0.00000   0.00000   0.00955   0.00030
  11        4YY         0.02482   0.00000   0.00000  -0.00329  -0.00005
  12        4ZZ        -0.01098   0.00000   0.00000  -0.03825  -0.00102
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000  -0.03321   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000  -0.02998   0.00000   0.00000
  16 2   H  1S          0.02806   0.00000   0.14129  -0.12587  -0.00345
  17        2S         -0.05160   0.00000   0.06461  -0.07056  -0.00195
  18 3   H  1S          0.02806   0.00000  -0.14129  -0.12587  -0.00345
  19        2S         -0.05160   0.00000  -0.06461  -0.07056  -0.00195
                          11        12        13        14        15
  11        4YY         0.00166
  12        4ZZ         0.00117   0.00465
  13        4XY         0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00210
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00487
  16 2   H  1S          0.00755   0.01702   0.00000   0.00000  -0.02296
  17        2S          0.00024   0.00761   0.00000   0.00000  -0.01050
  18 3   H  1S          0.00755   0.01702   0.00000   0.00000   0.02296
  19        2S          0.00024   0.00761   0.00000   0.00000   0.01050
                          16        17        18        19
  16 2   H  1S          0.17935
  17        2S          0.07348   0.03717
  18 3   H  1S         -0.03707  -0.02549   0.17935
  19        2S         -0.02549  -0.00810   0.07348   0.03717
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   O  1S          2.07684
   2        2S         -0.04217   0.50469
   3        2PX         0.00000   0.00000   0.81653
   4        2PY         0.00000   0.00000   0.00000   0.50989
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.64463
   6        3S         -0.03713   0.39785   0.00000   0.00000   0.00000
   7        3PX         0.00000   0.00000   0.32829   0.00000   0.00000
   8        3PY         0.00000   0.00000   0.00000   0.15382   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.23645
  10        4XX        -0.00030   0.00125   0.00000   0.00000   0.00000
  11        4YY        -0.00068   0.01467   0.00000   0.00000   0.00000
  12        4ZZ        -0.00033   0.00223   0.00000   0.00000   0.00000
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   H  1S         -0.00119   0.01982   0.00000   0.05490   0.02920
  17        2S          0.00073  -0.00933   0.00000   0.01296   0.00819
  18 3   H  1S         -0.00119   0.01982   0.00000   0.05490   0.02920
  19        2S          0.00073  -0.00933   0.00000   0.01296   0.00819
                           6         7         8         9        10
   6        3S          0.58990
   7        3PX         0.00000   0.52478
   8        3PY         0.00000   0.00000   0.18448
   9        3PZ         0.00000   0.00000   0.00000   0.34531
  10        4XX         0.00427   0.00000   0.00000   0.00000   0.00030
  11        4YY         0.01735   0.00000   0.00000   0.00000  -0.00002
  12        4ZZ        -0.00768   0.00000   0.00000   0.00000  -0.00034
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   H  1S          0.01196   0.00000   0.06731   0.04240  -0.00057
  17        2S         -0.03523   0.00000   0.02540   0.01961  -0.00078
  18 3   H  1S          0.01196   0.00000   0.06731   0.04240  -0.00057
  19        2S         -0.03523   0.00000   0.02540   0.01961  -0.00078
                          11        12        13        14        15
  11        4YY         0.00166
  12        4ZZ         0.00039   0.00465
  13        4XY         0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00210
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00487
  16 2   H  1S          0.00321   0.00503   0.00000   0.00000   0.00728
  17        2S          0.00011   0.00322   0.00000   0.00000   0.00061
  18 3   H  1S          0.00321   0.00503   0.00000   0.00000   0.00728
  19        2S          0.00011   0.00322   0.00000   0.00000   0.00061
                          16        17        18        19
  16 2   H  1S          0.17935
  17        2S          0.04837   0.03717
  18 3   H  1S         -0.00158  -0.00530   0.17935
  19        2S         -0.00530  -0.00399   0.04837   0.03717
     Gross orbital populations:
                           1
   1 1   O  1S          1.99529
   2        2S          0.89952
   3        2PX         1.14483
   4        2PY         0.79944
   5        2PZ         0.95587
   6        3S          0.91801
   7        3PX         0.85307
   8        3PY         0.52370
   9        3PZ         0.70578
  10        4XX         0.00246
  11        4YY         0.04001
  12        4ZZ         0.01542
  13        4XY         0.00000
  14        4XZ         0.00210
  15        4YZ         0.02065
  16 2   H  1S          0.46019
  17        2S          0.10173
  18 3   H  1S          0.46019
  19        2S          0.10173
          Condensed to atoms (all electrons):
               1          2          3
     1  O    8.346477   0.264836   0.264836
     2  H    0.264836   0.313264  -0.016175
     3  H    0.264836  -0.016175   0.313264
 Mulliken charges:
               1
     1  O   -0.876150
     2  H    0.438075
     3  H    0.438075
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O    0.000000
 Electronic spatial extent (au):  <R**2>=             18.9611
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -2.1386  Tot=              2.1386
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.2322   YY=             -3.8956   ZZ=             -6.1126
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.4854   YY=              1.8512   ZZ=             -0.3658
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -1.3412  XYY=              0.0000
  XXY=              0.0000  XXZ=             -0.3668  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -1.4023  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -5.2145 YYYY=             -5.2966 ZZZZ=             -6.0105 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -2.0596 XXZZ=             -1.9114 YYZZ=             -1.6066
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 9.157173338694D+00 E-N=-1.988071104504D+02  KE= 7.580134774520D+01
 Symmetry A1   KE= 6.775219529000D+01
 Symmetry A2   KE= 1.752497798125D-33
 Symmetry B1   KE= 4.548363652183D+00
 Symmetry B2   KE= 3.500788803015D+00
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1         (A1)--O         -20.557955         29.145038
   2         (A1)--O          -1.336134          2.570182
   3         (B2)--O          -0.714183          1.750394
   4         (A1)--O          -0.560291          2.160878
   5         (B1)--O          -0.495597          2.274182
   6         (A1)--V           0.210596          0.980769
   7         (B2)--V           0.303899          0.990689
   8         (B2)--V           1.045821          2.060983
   9         (A1)--V           1.116648          2.420531
  10         (A1)--V           1.159574          3.375437
 Total kinetic energy from orbitals= 7.580134774520D+01
 Leave Link  601 at Wed Apr 24 18:59:04 2013, MaxMem=    33554432 cpu:         0.1
 (Enter /mf/frisch/g09/l9999.exe)

 This type of calculation cannot be archived.


 WE TEND TO MEET ANY NEW SITUATION BY REORGANIZING. IT CAN BE A
 WONDERFUL METHOD FOR CREATING THE ILLUSION OF PROGRESS WHILE PRODUCING
 CONFUSION, INEFFICIENCY, AND DEMORALIZATION.
     -- PETRONIUS ARBITER, 210 B.C.
 Job cpu time:       0 days  0 hours  0 minutes  1.1 seconds.
 File lengths (MBytes):  RWF=      5 Int=      1 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Wed Apr 24 18:59:04 2013.