ZnO10pbe.out 81.8 KB
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 Entering Gaussian System, Link 0=g09
 Initial command:
 /aplic/Gaussian/g09d01_prebuilt/g09/l1.exe "/work/g4rosendo/Gau-24710.inp" -scrdir="/work/g4rosendo/"
 Entering Link 1 = /aplic/Gaussian/g09d01_prebuilt/g09/l1.exe PID=     24711.
  
 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
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 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
                23-Nov-2015 
 ******************************************
 %chk=ZnO10pbe
 %mem=1500mb
 %nproc=12
 Will use up to   12 processors via shared memory.
 ----------------------------------------
 #p pbepbe/6-31G* td(singlets,nstates=10)
 ----------------------------------------
 1/38=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1,74=1009/1,2,8,3;
 4//1;
 5/5=2,38=5/2;
 8/6=1,10=2,108=10/1;
 9/41=10,42=1,48=1,70=2/14;
 6/7=2,8=2,9=2,10=2/1;
 99/5=1,9=1/99;
 Leave Link    1 at Mon Nov 23 17:00:44 2015, MaxMem=   196608000 cpu:         1.0
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l101.exe)
 ------
 ZnO 10
 ------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 O                     3.25423   1.27931  -2.5453 
 Zn                    2.2486   -0.44791  -2.74547 
 O                     3.22448  -2.01425  -3.19003 
 Zn                    3.40375  -1.80554  -5.2096 
 O                     5.25271  -2.2956   -5.24775 
 Zn                    5.99419  -0.54287  -5.22935 
 O                     6.28848  -0.42881  -3.16158 
 Zn                    5.12325  -1.93266  -3.19034 
 Zn                    4.96041   0.94342  -3.28777 
 O                     5.13698   1.15173  -5.30696 
 Zn                    0.60202  -0.16612  -5.28309 
 O                     2.30612  -0.50268  -6.02914 
 Zn                    3.31139   1.2242   -5.82287 
 O                    -0.72661   1.20584  -5.41057 
 Zn                   -0.43367   1.32094  -3.34239 
 O                     0.42395  -0.37365  -3.26432 
 Zn                    2.15599   2.58444  -3.36103 
 O                     0.30717   3.07376  -3.32446 
 Zn                    0.43812   2.71027  -5.38147 
 O                     2.33665   2.79214  -5.38101 
 
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          64          16          64          16          64          16          64          64          16
 AtmWgt=  15.9949146  63.9291454  15.9949146  63.9291454  15.9949146  63.9291454  15.9949146  63.9291454  63.9291454  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   8.0000000  30.0000000   8.0000000  30.0000000   8.0000000  30.0000000   8.0000000  30.0000000  30.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          64          16          64          16          64          16          64          16          64          16
 AtmWgt=  63.9291454  15.9949146  63.9291454  15.9949146  63.9291454  15.9949146  63.9291454  15.9949146  63.9291454  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=  30.0000000   8.0000000  30.0000000   8.0000000  30.0000000   8.0000000  30.0000000   8.0000000  30.0000000   8.0000000
 Leave Link  101 at Mon Nov 23 17:00:44 2015, MaxMem=   196608000 cpu:         1.4
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        3.254226    1.279306   -2.545296
      2         30           0        2.248597   -0.447906   -2.745470
      3          8           0        3.224484   -2.014252   -3.190027
      4         30           0        3.403746   -1.805543   -5.209595
      5          8           0        5.252709   -2.295604   -5.247745
      6         30           0        5.994191   -0.542868   -5.229353
      7          8           0        6.288483   -0.428812   -3.161576
      8         30           0        5.123246   -1.932659   -3.190337
      9         30           0        4.960409    0.943418   -3.287771
     10          8           0        5.136985    1.151726   -5.306959
     11         30           0        0.602019   -0.166115   -5.283088
     12          8           0        2.306120   -0.502678   -6.029138
     13         30           0        3.311391    1.224196   -5.822871
     14          8           0       -0.726613    1.205842   -5.410571
     15         30           0       -0.433671    1.320945   -3.342386
     16          8           0        0.423947   -0.373652   -3.264322
     17         30           0        2.155991    2.584440   -3.361029
     18          8           0        0.307166    3.073761   -3.324464
     19         30           0        0.438122    2.710270   -5.381465
     20          8           0        2.336653    2.792143   -5.381008
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  Zn   2.008637   0.000000
     3  O    3.356201   1.898269   0.000000
     4  Zn   4.078865   3.041292   2.038222   0.000000
     5  O    4.906847   4.324356   2.902941   1.913186   0.000000
     6  Zn   4.246396   4.495348   3.741002   2.881864   1.903212
     7  O    3.536125   4.061303   3.450003   3.796245   2.984936
     8  Zn   3.771741   3.265885   1.900515   2.655229   2.093184
     9  Zn   1.890806   3.095771   3.430861   3.697756   3.797131
    10  O    3.344823   4.178855   4.261746   3.429146   3.449781
    11  Zn   4.076635   3.038113   3.830644   3.246969   5.115164
    12  O    4.026354   3.284629   3.344967   1.890474   3.536602
    13  Zn   3.278536   3.660034   4.174562   3.092565   4.060601
    14  O    4.905332   4.323138   5.559765   5.115536   6.931013
    15  Zn   3.773284   3.267982   4.952661   5.290290   7.003195
    16  O    3.355555   1.898439   3.246551   3.835832   5.562806
    17  Zn   1.890745   3.095580   4.724288   4.924028   6.079819
    18  O    3.537278   4.062823   5.866574   6.078662   7.549006
    19  Zn   4.245228   4.494482   5.906549   5.405279   6.946719
    20  O    3.342436   4.177527   5.356312   4.723006   5.865690
                    6          7          8          9         10
     6  Zn   0.000000
     7  O    2.091726   0.000000
     8  Zn   2.616801   1.902672   0.000000
     9  Zn   2.654711   1.913824   2.882331   0.000000
    10  O    1.900651   2.902881   3.740817   2.037570   0.000000
    11  Zn   5.405585   6.075006   5.285999   4.920155   4.722626
    12  O    3.774008   4.907910   4.247334   4.080630   3.357439
    13  Zn   3.266833   4.321805   4.492081   3.037240   1.898476
    14  O    6.946944   7.545969   7.000035   6.075967   5.864763
    15  Zn   6.953549   6.948503   6.441148   5.407551   5.909348
    16  O    5.909111   5.865695   4.951706   4.723845   5.358346
    17  Zn   5.291736   5.118297   5.407211   3.250090   3.837400
    18  O    7.003632   6.933304   6.948155   5.117849   5.563421
    19  Zn   6.440182   7.000605   6.950412   5.287381   4.951154
    20  O    4.952058   5.560341   5.906598   3.831908   3.246276
                   11         12         13         14         15
    11  Zn   0.000000
    12  O    1.890457   0.000000
    13  Zn   3.092738   2.008783   0.000000
    14  O    1.914101   3.535412   4.059040   0.000000
    15  Zn   2.655245   4.248610   4.493067   2.091998   0.000000
    16  O    2.037203   3.347153   4.175718   2.902581   1.900858
    17  Zn   3.697931   4.083093   3.040704   3.796125   2.881513
    18  O    3.797360   4.909378   4.322996   2.984906   1.903030
    19  Zn   2.882730   3.772523   3.264801   1.902829   2.616886
    20  O    3.430720   3.358102   1.898371   3.449758   3.741002
                   16         17         18         19         20
    16  O    0.000000
    17  Zn   3.429233   0.000000
    18  O    3.449915   1.912832   0.000000
    19  Zn   3.740732   2.655009   2.092972   0.000000
    20  O    4.261580   2.038650   2.903016   1.900296   0.000000
 Stoichiometry    O10Zn10
 Framework group  C1[X(O10Zn10)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.000734    0.864150    1.816326
      2         30           0       -0.000417   -1.111812    1.455499
      3          8           0        1.622447   -1.928655    0.905496
      4         30           0        1.624848   -1.495870   -1.086247
      5          8           0        3.466647   -0.979626   -1.125596
      6         30           0        3.221338    0.899462   -0.949335
      7          8           0        3.465548    0.979375    1.126548
      8         30           0        3.219307   -0.899145    0.951365
      9         30           0        1.623676    1.497522    1.084697
     10          8           0        1.623969    1.928575   -0.906756
     11         30           0       -1.622120   -1.496989   -1.084550
     12          8           0        0.000752   -0.864960   -1.819840
     13         30           0        0.000438    1.110039   -1.452976
     14          8           0       -3.464366   -0.979255   -1.127718
     15         30           0       -3.221840   -0.899157    0.948629
     16          8           0       -1.624103   -1.928101    0.906515
     17         30           0       -1.626413    1.496394    1.086702
     18          8           0       -3.467756    0.979712    1.124414
     19         30           0       -3.218843    0.899483   -0.952154
     20          8           0       -1.622306    1.929055   -0.905504
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.2194629      0.0952492      0.0914800
 Leave Link  202 at Mon Nov 23 17:00:44 2015, MaxMem=   196608000 cpu:         0.5
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   540 symmetry adapted cartesian basis functions of A   symmetry.
 There are   510 symmetry adapted basis functions of A   symmetry.
   510 basis functions,  1320 primitive gaussians,   540 cartesian basis functions
   190 alpha electrons      190 beta electrons
       nuclear repulsion energy     10193.3392886135 Hartrees.
 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX=  0.000000
 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=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Nov 23 17:00:44 2015, MaxMem=   196608000 cpu:         1.2
 (Enter /aplic/Gaussian/g09d01_prebuilt/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=   510 RedAO= T EigKep=  1.05D-03  NBF=   510
 NBsUse=   510 1.00D-06 EigRej= -1.00D+00 NBFU=   510
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   520   520   524   524   524 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Mon Nov 23 17:00:45 2015, MaxMem=   196608000 cpu:        10.2
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l308.exe)
 Leave Link  308 at Mon Nov 23 17:00:46 2015, MaxMem=   196608000 cpu:         2.3
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 23 17:00:46 2015, MaxMem=   196608000 cpu:         1.4
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l401.exe)
 ExpMin= 4.93D-02 ExpMax= 8.24D+04 ExpMxC= 1.24D+04 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor= 1009 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor= 1009 AccDes= 0.00D+00 IRadAn=         4 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= -18539.5549992387    
 JPrj=0 DoOrth=F DoCkMO=F.
 Leave Link  401 at Mon Nov 23 17:00:48 2015, MaxMem=   196608000 cpu:        20.5
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 IVT=      903740 IEndB=      903740 NGot=   196608000 MDV=   196013041
 LenX=   196013041 LenY=   195720901
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 740000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -18538.0224425364    
 DIIS: error= 5.75D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -18538.0224425364     IErMin= 1 ErrMin= 5.75D-02
 ErrMax= 5.75D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D+00 BMatP= 3.81D+00
 IDIUse=3 WtCom= 4.25D-01 WtEn= 5.75D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.280 Goal=   None    Shift=    0.000
 GapD=    0.280 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=2.71D-02 MaxDP=2.15D+00              OVMax= 7.92D-01

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.77D-03    CP:  1.01D+00
 E= -18538.3616365454     Delta-E=       -0.339194008964 Rises=F Damp=T
 DIIS: error= 4.12D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -18538.3616365454     IErMin= 2 ErrMin= 4.12D-02
 ErrMax= 4.12D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-01 BMatP= 3.81D+00
 IDIUse=3 WtCom= 5.88D-01 WtEn= 4.12D-01
 Coeff-Com: -0.943D-01 0.109D+01
 Coeff-En:   0.404D+00 0.596D+00
 Coeff:      0.111D+00 0.889D+00
 Gap=    -0.018 Goal=   None    Shift=    0.000
 RMSDP=8.14D-03 MaxDP=6.90D-01 DE=-3.39D-01 OVMax= 7.75D-01

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.68D-03    CP:  9.66D-01  3.45D-02
 E= -18539.7579340111     Delta-E=       -1.396297465722 Rises=F Damp=F
 DIIS: error= 3.97D-02 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -18539.7579340111     IErMin= 3 ErrMin= 3.97D-02
 ErrMax= 3.97D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.93D-01 BMatP= 3.73D-01
 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00
 Coeff-En:   0.965D-01 0.000D+00 0.903D+00
 Coeff:      0.965D-01 0.000D+00 0.903D+00
 Gap=     0.227 Goal=   None    Shift=    0.000
 RMSDP=7.23D-03 MaxDP=6.31D-01 DE=-1.40D+00 OVMax= 9.27D-01

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.07D-03    CP:  1.01D+00  4.61D-01  1.23D-01
 E= -18536.6394670897     Delta-E=        3.118466921438 Rises=F Damp=F
 DIIS: error= 6.65D-02 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 3 EnMin= -18539.7579340111     IErMin= 3 ErrMin= 3.97D-02
 ErrMax= 6.65D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D+00 BMatP= 3.73D-01
 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00
 EnCoef did     2 forward-backward iterations
 Coeff-En:   0.405D-01 0.000D+00 0.813D+00 0.146D+00
 Coeff:      0.405D-01 0.000D+00 0.813D+00 0.146D+00
 Gap=     0.001 Goal=   None    Shift=    0.000
 RMSDP=4.06D-03 MaxDP=2.95D-01 DE= 3.12D+00 OVMax= 8.29D-01

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.49D-03    CP:  9.96D-01  1.91D-01  3.40D-01  3.83D-01
 E= -18539.7071769823     Delta-E=       -3.067709892639 Rises=F Damp=F
 DIIS: error= 4.17D-02 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 3 EnMin= -18539.7579340111     IErMin= 3 ErrMin= 3.97D-02
 ErrMax= 4.17D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.20D-01 BMatP= 3.73D-01
 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00
 Coeff-En:   0.000D+00 0.000D+00 0.522D+00 0.000D+00 0.478D+00
 Coeff:      0.000D+00 0.000D+00 0.522D+00 0.000D+00 0.478D+00
 Gap=     0.074 Goal=   None    Shift=    0.000
 RMSDP=2.45D-03 MaxDP=1.75D-01 DE=-3.07D+00 OVMax= 1.75D-01

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.21D-03    CP:  9.81D-01  1.64D-01  7.38D-01  2.93D-01  4.54D-01
 E= -18539.8836809394     Delta-E=       -0.176503957078 Rises=F Damp=F
 DIIS: error= 2.70D-02 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -18539.8836809394     IErMin= 6 ErrMin= 2.70D-02
 ErrMax= 2.70D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-01 BMatP= 3.73D-01
 IDIUse=3 WtCom= 7.30D-01 WtEn= 2.70D-01
 EnCoef did     3 forward-backward iterations
 Coeff-Com: -0.166D-01 0.337D-01 0.374D+00-0.299D-01 0.411D+00 0.228D+00
 Coeff-En:   0.000D+00 0.000D+00 0.368D+00 0.000D+00 0.333D+00 0.298D+00
 Coeff:     -0.121D-01 0.246D-01 0.373D+00-0.218D-01 0.390D+00 0.247D+00
 Gap=     0.078 Goal=   None    Shift=    0.000
 RMSDP=1.16D-03 MaxDP=6.00D-02 DE=-1.77D-01 OVMax= 1.28D-01

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.76D-04    CP:  9.81D-01  1.24D-01  7.09D-01  2.14D-01  5.48D-01
                    CP:  1.75D-01
 E= -18540.1470258003     Delta-E=       -0.263344860927 Rises=F Damp=F
 DIIS: error= 3.74D-03 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -18540.1470258003     IErMin= 7 ErrMin= 3.74D-03
 ErrMax= 3.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.48D-03 BMatP= 3.16D-01
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.74D-02
 Coeff-Com: -0.305D-02 0.434D-02 0.173D+00-0.196D-01 0.194D+00 0.184D+00
 Coeff-Com:  0.468D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.325D-01
 Coeff-En:   0.967D+00
 Coeff:     -0.294D-02 0.418D-02 0.166D+00-0.188D-01 0.187D+00 0.178D+00
 Coeff:      0.487D+00
 Gap=     0.072 Goal=   None    Shift=    0.000
 RMSDP=2.47D-04 MaxDP=1.02D-02 DE=-2.63D-01 OVMax= 2.87D-02

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.24D-04    CP:  9.81D-01  1.26D-01  7.12D-01  2.18D-01  5.39D-01
                    CP:  2.87D-01  4.14D-01
 E= -18540.1531626301     Delta-E=       -0.006136829794 Rises=F Damp=F
 DIIS: error= 1.89D-03 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -18540.1531626301     IErMin= 8 ErrMin= 1.89D-03
 ErrMax= 1.89D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-03 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.89D-02
 Coeff-Com:  0.330D-02-0.384D-02 0.187D-01-0.361D-02 0.165D-01 0.449D-01
 Coeff-Com:  0.370D+00 0.554D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
 Coeff-En:   0.214D+00 0.786D+00
 Coeff:      0.324D-02-0.377D-02 0.184D-01-0.354D-02 0.162D-01 0.441D-01
 Coeff:      0.367D+00 0.558D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=8.03D-05 MaxDP=3.15D-03 DE=-6.14D-03 OVMax= 6.76D-03

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.55D-05    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.38D-01
                    CP:  2.63D-01  5.88D-01  6.51D-01
 E= -18540.1542519168     Delta-E=       -0.001089286681 Rises=F Damp=F
 DIIS: error= 2.63D-04 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -18540.1542519168     IErMin= 9 ErrMin= 2.63D-04
 ErrMax= 2.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.17D-05 BMatP= 1.87D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.63D-03
 Coeff-Com:  0.303D-02-0.428D-02 0.808D-02-0.943D-04 0.320D-02 0.181D-01
 Coeff-Com:  0.205D+00 0.338D+00 0.429D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.302D-02-0.426D-02 0.806D-02-0.940D-04 0.319D-02 0.181D-01
 Coeff:      0.204D+00 0.337D+00 0.431D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=2.83D-05 MaxDP=1.47D-03 DE=-1.09D-03 OVMax= 2.40D-03

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.78D-05    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.37D-01
                    CP:  2.63D-01  6.00D-01  6.36D-01  3.97D-01
 E= -18540.1542796678     Delta-E=       -0.000027751030 Rises=F Damp=F
 DIIS: error= 2.00D-04 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -18540.1542796678     IErMin=10 ErrMin= 2.00D-04
 ErrMax= 2.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-05 BMatP= 8.17D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.00D-03
 Coeff-Com:  0.212D-02-0.300D-02 0.203D-02 0.396D-03-0.145D-02 0.499D-02
 Coeff-Com:  0.906D-01 0.166D+00 0.391D+00 0.348D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
 Coeff-En:   0.000D+00 0.000D+00 0.407D+00 0.593D+00
 Coeff:      0.211D-02-0.300D-02 0.202D-02 0.395D-03-0.145D-02 0.498D-02
 Coeff:      0.905D-01 0.165D+00 0.391D+00 0.348D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=1.54D-05 MaxDP=9.14D-04 DE=-2.78D-05 OVMax= 1.88D-03

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.08D-06    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.64D-01  6.02D-01  6.27D-01  5.02D-01  2.71D-01
 E= -18540.1543172460     Delta-E=       -0.000037578167 Rises=F Damp=F
 DIIS: error= 7.11D-05 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -18540.1543172460     IErMin=11 ErrMin= 7.11D-05
 ErrMax= 7.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.91D-06 BMatP= 5.49D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-02-0.169D-02 0.398D-03-0.896D-04-0.125D-02 0.189D-02
 Coeff-Com:  0.458D-01 0.905D-01 0.238D+00 0.266D+00 0.360D+00
 Coeff:      0.131D-02-0.169D-02 0.398D-03-0.896D-04-0.125D-02 0.189D-02
 Coeff:      0.458D-01 0.905D-01 0.238D+00 0.266D+00 0.360D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=5.77D-06 MaxDP=3.89D-04 DE=-3.76D-05 OVMax= 5.59D-04

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.18D-06    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.37D-01
                    CP:  2.64D-01  6.00D-01  6.36D-01  5.26D-01  3.82D-01
                    CP:  4.37D-01
 E= -18540.1543230120     Delta-E=       -0.000005766015 Rises=F Damp=F
 DIIS: error= 4.32D-05 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -18540.1543230120     IErMin=12 ErrMin= 4.32D-05
 ErrMax= 4.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-06 BMatP= 7.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.608D-03-0.772D-03 0.286D-03-0.468D-04-0.453D-03-0.488D-03
 Coeff-Com:  0.997D-02 0.256D-01 0.834D-01 0.116D+00 0.266D+00 0.500D+00
 Coeff:      0.608D-03-0.772D-03 0.286D-03-0.468D-04-0.453D-03-0.488D-03
 Coeff:      0.997D-02 0.256D-01 0.834D-01 0.116D+00 0.266D+00 0.500D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=2.76D-06 MaxDP=2.24D-04 DE=-5.77D-06 OVMax= 1.61D-04

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.74D-07    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.20D-01  3.81D-01
                    CP:  5.06D-01  4.48D-01
 E= -18540.1543239017     Delta-E=       -0.000000889657 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -18540.1543239017     IErMin=13 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-07 BMatP= 1.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.352D-03-0.451D-03 0.247D-03-0.145D-04-0.187D-03-0.623D-03
 Coeff-Com:  0.188D-02 0.741D-02 0.330D-01 0.504D-01 0.137D+00 0.328D+00
 Coeff-Com:  0.444D+00
 Coeff:      0.352D-03-0.451D-03 0.247D-03-0.145D-04-0.187D-03-0.623D-03
 Coeff:      0.188D-02 0.741D-02 0.330D-01 0.504D-01 0.137D+00 0.328D+00
 Coeff:      0.444D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=9.33D-07 MaxDP=6.71D-05 DE=-8.90D-07 OVMax= 8.89D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.46D-07    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.19D-01  3.81D-01
                    CP:  5.11D-01  4.92D-01  5.09D-01
 E= -18540.1543240077     Delta-E=       -0.000000106083 Rises=F Damp=F
 DIIS: error= 8.96D-06 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -18540.1543240077     IErMin=14 ErrMin= 8.96D-06
 ErrMax= 8.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.56D-08 BMatP= 2.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-03-0.143D-03 0.136D-03-0.118D-04 0.146D-04-0.375D-03
 Coeff-Com: -0.254D-02-0.453D-02-0.567D-02-0.494D-02 0.684D-02 0.901D-01
 Coeff-Com:  0.435D+00 0.486D+00
 Coeff:      0.114D-03-0.143D-03 0.136D-03-0.118D-04 0.146D-04-0.375D-03
 Coeff:     -0.254D-02-0.453D-02-0.567D-02-0.494D-02 0.684D-02 0.901D-01
 Coeff:      0.435D+00 0.486D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=5.51D-07 MaxDP=2.83D-05 DE=-1.06D-07 OVMax= 4.39D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.19D-07    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.20D-01  3.81D-01
                    CP:  5.18D-01  5.19D-01  7.14D-01  5.47D-01
 E= -18540.1543240760     Delta-E=       -0.000000068256 Rises=F Damp=F
 DIIS: error= 2.50D-06 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -18540.1543240760     IErMin=15 ErrMin= 2.50D-06
 ErrMax= 2.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.72D-09 BMatP= 8.56D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.613D-04-0.759D-04 0.819D-04-0.887D-05 0.244D-04-0.221D-03
 Coeff-Com: -0.211D-02-0.417D-02-0.743D-02-0.873D-02-0.900D-02 0.349D-01
 Coeff-Com:  0.276D+00 0.356D+00 0.365D+00
 Coeff:      0.613D-04-0.759D-04 0.819D-04-0.887D-05 0.244D-04-0.221D-03
 Coeff:     -0.211D-02-0.417D-02-0.743D-02-0.873D-02-0.900D-02 0.349D-01
 Coeff:      0.276D+00 0.356D+00 0.365D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=2.13D-07 MaxDP=1.28D-05 DE=-6.83D-08 OVMax= 2.50D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.20D-01  3.82D-01
                    CP:  5.19D-01  5.21D-01  7.34D-01  5.77D-01  3.63D-01
 E= -18540.1543240816     Delta-E=       -0.000000005653 Rises=F Damp=F
 DIIS: error= 1.80D-06 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -18540.1543240816     IErMin=16 ErrMin= 1.80D-06
 ErrMax= 1.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-09 BMatP= 8.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.428D-05-0.512D-05 0.832D-05-0.650D-06 0.102D-04-0.134D-04
 Coeff-Com: -0.712D-03-0.165D-02-0.412D-02-0.583D-02-0.133D-01-0.180D-01
 Coeff-Com:  0.160D-01 0.659D-01 0.397D+00 0.564D+00
 Coeff:      0.428D-05-0.512D-05 0.832D-05-0.650D-06 0.102D-04-0.134D-04
 Coeff:     -0.712D-03-0.165D-02-0.412D-02-0.583D-02-0.133D-01-0.180D-01
 Coeff:      0.160D-01 0.659D-01 0.397D+00 0.564D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=1.26D-07 MaxDP=1.04D-05 DE=-5.65D-09 OVMax= 1.06D-05

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  3.62D-08    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.20D-01  3.82D-01
                    CP:  5.19D-01  5.22D-01  7.51D-01  6.05D-01  5.90D-01
                    CP:  5.74D-01
 E= -18540.1543240840     Delta-E=       -0.000000002310 Rises=F Damp=F
 DIIS: error= 1.80D-07 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=17 EnMin= -18540.1543240840     IErMin=17 ErrMin= 1.80D-07
 ErrMax= 1.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-11 BMatP= 2.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-05-0.144D-05 0.224D-05-0.949D-07 0.472D-05-0.992D-06
 Coeff-Com: -0.357D-03-0.832D-03-0.220D-02-0.311D-02-0.747D-02-0.120D-01
 Coeff-Com:  0.430D-03 0.289D-01 0.224D+00 0.332D+00 0.441D+00
 Coeff:      0.119D-05-0.144D-05 0.224D-05-0.949D-07 0.472D-05-0.992D-06
 Coeff:     -0.357D-03-0.832D-03-0.220D-02-0.311D-02-0.747D-02-0.120D-01
 Coeff:      0.430D-03 0.289D-01 0.224D+00 0.332D+00 0.441D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=2.43D-08 MaxDP=9.90D-07 DE=-2.31D-09 OVMax= 1.54D-06

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.20D-01  3.82D-01
                    CP:  5.19D-01  5.22D-01  7.50D-01  6.08D-01  6.05D-01
                    CP:  5.92D-01  5.01D-01
 E= -18540.1543240835     Delta-E=        0.000000000440 Rises=F Damp=F
 DIIS: error= 1.41D-07 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=17 EnMin= -18540.1543240840     IErMin=18 ErrMin= 1.41D-07
 ErrMax= 1.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-11 BMatP= 5.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-06-0.340D-06 0.302D-06-0.336D-07 0.216D-05 0.186D-05
 Coeff-Com: -0.170D-03-0.394D-03-0.109D-02-0.151D-02-0.373D-02-0.681D-02
 Coeff-Com: -0.272D-02 0.125D-01 0.114D+00 0.174D+00 0.365D+00 0.351D+00
 Coeff:      0.273D-06-0.340D-06 0.302D-06-0.336D-07 0.216D-05 0.186D-05
 Coeff:     -0.170D-03-0.394D-03-0.109D-02-0.151D-02-0.373D-02-0.681D-02
 Coeff:     -0.272D-02 0.125D-01 0.114D+00 0.174D+00 0.365D+00 0.351D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=5.94D-07 DE= 4.40D-10 OVMax= 9.10D-07

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  5.86D-09    CP:  9.81D-01  1.25D-01  7.12D-01  2.16D-01  5.36D-01
                    CP:  2.63D-01  5.98D-01  6.39D-01  5.20D-01  3.82D-01
                    CP:  5.19D-01  5.22D-01  7.50D-01  6.09D-01  6.09D-01
                    CP:  5.97D-01  5.31D-01  3.63D-01
 E= -18540.1543240834     Delta-E=        0.000000000164 Rises=F Damp=F
 DIIS: error= 4.59D-08 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=17 EnMin= -18540.1543240840     IErMin=19 ErrMin= 4.59D-08
 ErrMax= 4.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-12 BMatP= 2.69D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.555D-07-0.621D-07-0.917D-07-0.321D-07 0.107D-05 0.161D-05
 Coeff-Com: -0.857D-04-0.195D-03-0.557D-03-0.746D-03-0.185D-02-0.371D-02
 Coeff-Com: -0.217D-02 0.611D-02 0.588D-01 0.897D-01 0.217D+00 0.264D+00
 Coeff-Com:  0.374D+00
 Coeff:      0.555D-07-0.621D-07-0.917D-07-0.321D-07 0.107D-05 0.161D-05
 Coeff:     -0.857D-04-0.195D-03-0.557D-03-0.746D-03-0.185D-02-0.371D-02
 Coeff:     -0.217D-02 0.611D-02 0.588D-01 0.897D-01 0.217D+00 0.264D+00
 Coeff:      0.374D+00
 Gap=     0.073 Goal=   None    Shift=    0.000
 RMSDP=3.90D-09 MaxDP=1.57D-07 DE= 1.64D-10 OVMax= 2.57D-07

 SCF Done:  E(RPBE-PBE) =  -18540.1543241     A.U. after   19 cycles
            NFock= 19  Conv=0.39D-08     -V/T= 2.0019
 KE= 1.850409095053D+04 PE=-6.474175595785D+04 EE= 1.750417139463D+04
 Leave Link  502 at Mon Nov 23 17:04:33 2015, MaxMem=   196608000 cpu:      2684.3
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l801.exe)
 ExpMin= 4.93D-02 ExpMax= 8.24D+04 ExpMxC= 1.24D+04 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
 ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Largest valence mixing into a core orbital is  1.65D-04
 Largest core mixing into a valence orbital is  1.07D-04
 Range of M.O.s used for correlation:   101   510
 NBasis=   510 NAE=   190 NBE=   190 NFC=   100 NFV=     0
 NROrb=    410 NOA=    90 NOB=    90 NVA=   320 NVB=   320

 **** Warning!!: The largest alpha MO coefficient is  0.15770101D+02


 **** Warning!!: The smallest alpha delta epsilon is  0.72739830D-01

 Leave Link  801 at Mon Nov 23 17:04:33 2015, MaxMem=   196608000 cpu:         4.6
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l914.exe)
 RHF ground state
 MDV=   196608000 DFT=T DoStab=F Mixed=F DoRPA=T DoScal=T NonHer=F
 Would need an additional          8915900000 words for in-memory AO integral storage.
 Making orbital integer symmetry assigments:
 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
    40 initial guesses have been made.
 Convergence on wavefunction:    0.001000000000000
 Davidson Disk Diagonalization:  ConvIn= 1.00D-03 SkipCon=T Conv= 1.00D-03.
 Max sub-space:   200 roots to seek:    40 dimension of matrix:        57600
 Iteration     1 Dimension    40 NMult     0 NNew     40
 CISAX will form    40 AO SS matrices at one time.
 NMat=    40 NSing=    40 JSym2X= 0.
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=  40 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=   40 NMatS0=     40 NMatT0=    0 NMatD0=   40 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 New state      3 was old state      4
 New state      4 was old state      3
 New state      7 was old state      8
 New state      8 was old state     10
 New state     10 was old state      7
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.106490008652684
 Root      2 :     2.220457007693423
 Root      3 :     2.264912967716772
 Root      4 :     2.273827697009371
 Root      5 :     2.426461578106659
 Root      6 :     2.634446122542650
 Root      7 :     2.724661431651494
 Root      8 :     2.732580734065261
 Root      9 :     2.737416729701722
 Root     10 :     2.793501642493335
 Root     11 :     3.053106665933752
 Root     12 :     3.141809949225665
 Root     13 :     3.143326873112512
 Root     14 :     3.174626538727490
 Root     15 :     3.180586222611209
 Root     16 :     3.211358230501302
 Root     17 :     3.255495553620761
 Root     18 :     3.302837713476361
 Root     19 :     3.319486804526997
 Root     20 :     3.428271204918454
 Root     21 :     3.462254704624026
 Root     22 :     3.583740066968967
 Root     23 :     3.596275667197323
 Root     24 :     3.598262479085272
 Root     25 :     3.637076167005419
 Root     26 :     3.659425384961856
 Root     27 :     3.691536735754850
 Root     28 :     3.704319751956421
 Root     29 :     3.713639348963643
 Root     30 :     3.726043968042259
 Root     31 :     3.761526687819254
 Root     32 :     3.785057521886830
 Root     33 :     3.791570564365192
 Root     34 :     3.801776559024745
 Root     35 :     3.929362643505712
 Root     36 :     3.976120459573071
 Root     37 :     3.992870245892347
 Root     38 :     4.003510088246679
 Root     39 :     4.194683709857324
 Root     40 :     4.584055302824662
 Iteration     2 Dimension    80 NMult    40 NNew     40
 CISAX will form    40 AO SS matrices at one time.
 NMat=    40 NSing=    40 JSym2X= 0.
 Root      1 not converged, maximum delta is    0.055595066627433
 Root      2 not converged, maximum delta is    0.060589092435112
 Root      3 not converged, maximum delta is    0.208205436001281
 Root      4 not converged, maximum delta is    0.074415216280784
 Root      5 not converged, maximum delta is    0.199959854655111
 Root      6 not converged, maximum delta is    0.143824942795211
 Root      7 not converged, maximum delta is    0.080344527982368
 New state      8 was old state      9
 Root      8 not converged, maximum delta is    0.136851192325340
 New state      9 was old state      8
 Root      9 not converged, maximum delta is    0.069316571778643
 Root     10 not converged, maximum delta is    0.094979002743543
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.052286421795833   Change is   -0.054203586856851
 Root      2 :     2.157415511980060   Change is   -0.063041495713363
 Root      3 :     2.189609558078530   Change is   -0.075303409638242
 Root      4 :     2.193178926743240   Change is   -0.080648770266131
 Root      5 :     2.369669492306580   Change is   -0.056792085800079
 Root      6 :     2.587946913815925   Change is   -0.046499208726725
 Root      7 :     2.680349495119788   Change is   -0.044311936531706
 Root      8 :     2.684193592223540   Change is   -0.053223137478182
 Root      9 :     2.690510877476907   Change is   -0.042069856588355
 Root     10 :     2.729159749017680   Change is   -0.064341893475655
 Root     11 :     3.011581702474880   Change is   -0.041524963458872
 Root     12 :     3.041832981118974   Change is   -0.138753241492235
 Root     13 :     3.072502357357787   Change is   -0.069307591867879
 Root     14 :     3.080597683491805   Change is   -0.062729189620706
 Root     15 :     3.092005964258911   Change is   -0.082620574468579
 Root     16 :     3.141916024748967   Change is   -0.069442205752335
 Root     17 :     3.189786384061492   Change is   -0.065709169559269
 Root     18 :     3.243049147120481   Change is   -0.059788566355881
 Root     19 :     3.298965377534057   Change is   -0.020521426992939
 Root     20 :     3.399843237272502   Change is   -0.028427967645952
 Root     21 :     3.445215763528828   Change is   -0.017038941095197
 Root     22 :     3.550028571576851   Change is   -0.048233907508421
 Root     23 :     3.562385351772661   Change is   -0.021354715196306
 Root     24 :     3.579317214625759   Change is   -0.016958452571564
 Root     25 :     3.598567523064014   Change is   -0.038508643941406
 Root     26 :     3.614166267908862   Change is   -0.099473081054781
 Root     27 :     3.632805042411748   Change is   -0.026620342550108
 Root     28 :     3.659479319335609   Change is   -0.125578202551221
 Root     29 :     3.666899773328100   Change is   -0.037419978628321
 Root     30 :     3.679624242142967   Change is   -0.011912493611883
 Root     31 :     3.707399223930708   Change is   -0.018644744111550
 Root     32 :     3.733464087125015   Change is   -0.058106477240176
 Root     33 :     3.736836711724120   Change is   -0.024689976095135
 Root     34 :     3.774169843913183   Change is   -0.027606715111562
 Root     35 :     3.802675725358744   Change is   -0.126686918146969
 Root     36 :     3.834843267898167   Change is   -0.141277191674905
 Root     37 :     3.924680509516332   Change is   -0.078829578730347
 Root     38 :     3.927203539609887   Change is   -0.065666706282461
 Root     39 :     3.954479728278195   Change is   -0.240203981579129
 Root     40 :     4.015577501528258   Change is   -0.568477801296405
 Iteration     3 Dimension    90 NMult    80 NNew     10
 CISAX will form    10 AO SS matrices at one time.
 NMat=    10 NSing=    10 JSym2X= 0.
 Root      1 not converged, maximum delta is    0.002454410286421
 Root      2 not converged, maximum delta is    0.005072283620459
 Root      3 not converged, maximum delta is    0.011404841612292
 Root      4 not converged, maximum delta is    0.003777328813248
 Root      5 not converged, maximum delta is    0.011265477943994
 Root      6 not converged, maximum delta is    0.005489704925838
 Root      7 not converged, maximum delta is    0.015014932654536
 Root      8 not converged, maximum delta is    0.005456493542267
 Root      9 not converged, maximum delta is    0.003612482434595
 Root     10 not converged, maximum delta is    0.016240053797975
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.048926976743141   Change is   -0.003359445052692
 Root      2 :     2.151815122968390   Change is   -0.005600389011670
 Root      3 :     2.183923831220170   Change is   -0.005685726858361
 Root      4 :     2.187619681348257   Change is   -0.005559245394983
 Root      5 :     2.367272358759598   Change is   -0.002397133546982
 Root      6 :     2.586332795142696   Change is   -0.001614118673229
 Root      7 :     2.676965278860821   Change is   -0.003384216258967
 Root      8 :     2.682006573467469   Change is   -0.002187018756071
 Root      9 :     2.688583218968172   Change is   -0.001927658508735
 Root     10 :     2.721876346160432   Change is   -0.007283402857249
 Iteration     4 Dimension   100 NMult    90 NNew     10
 CISAX will form    10 AO SS matrices at one time.
 NMat=    10 NSing=    10 JSym2X= 0.
 Root      1 not converged, maximum delta is    0.004094318889862
 Root      2 not converged, maximum delta is    0.005744519611802
 Root      3 not converged, maximum delta is    0.011668787790500
 Root      4 not converged, maximum delta is    0.008745378848985
 Root      5 not converged, maximum delta is    0.011607132761308
 Root      6 not converged, maximum delta is    0.011005693021311
 Root      7 not converged, maximum delta is    0.029022005114376
 Root      8 not converged, maximum delta is    0.010984756845985
 Root      9 not converged, maximum delta is    0.004969626807254
 Root     10 not converged, maximum delta is    0.030151332081062
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.043235457526979   Change is   -0.005691519216163
 Root      2 :     2.144892102712229   Change is   -0.006923020256161
 Root      3 :     2.175757201749035   Change is   -0.008166629471135
 Root      4 :     2.178242034394952   Change is   -0.009377646953305
 Root      5 :     2.363296480933625   Change is   -0.003975877825973
 Root      6 :     2.582948855966521   Change is   -0.003383939176175
 Root      7 :     2.669307564174745   Change is   -0.007657714686076
 Root      8 :     2.676721425365900   Change is   -0.005285148101568
 Root      9 :     2.684862874268246   Change is   -0.003720344699926
 Root     10 :     2.710530824561213   Change is   -0.011345521599218
 Iteration     5 Dimension   110 NMult   100 NNew     10
 CISAX will form    10 AO SS matrices at one time.
 NMat=    10 NSing=    10 JSym2X= 0.
 Root      1 not converged, maximum delta is    0.003471934278780
 Root      2 not converged, maximum delta is    0.003302198183065
 Root      3 not converged, maximum delta is    0.005792370957865
 Root      4 not converged, maximum delta is    0.002673158437113
 Root      5 not converged, maximum delta is    0.005910414268193
 Root      6 not converged, maximum delta is    0.003435519450557
 Root      7 not converged, maximum delta is    0.006267308426794
 Root      8 not converged, maximum delta is    0.003437051753851
 Root      9 not converged, maximum delta is    0.002863056455494
 Root     10 not converged, maximum delta is    0.006777614879064
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.040356527057127   Change is   -0.002878930469852
 Root      2 :     2.141025453083883   Change is   -0.003866649628345
 Root      3 :     2.171925964536928   Change is   -0.003831237212107
 Root      4 :     2.174404195135532   Change is   -0.003837839259420
 Root      5 :     2.361768854114532   Change is   -0.001527626819094
 Root      6 :     2.581490828232732   Change is   -0.001458027733789
 Root      7 :     2.666340310379050   Change is   -0.002967253795694
 Root      8 :     2.675309199773960   Change is   -0.001412225591940
 Root      9 :     2.683511555838985   Change is   -0.001351318429261
 Root     10 :     2.706700101847613   Change is   -0.003830722713601
 Iteration     6 Dimension   120 NMult   110 NNew     10
 CISAX will form    10 AO SS matrices at one time.
 NMat=    10 NSing=    10 JSym2X= 0.
 Root      1 has converged.
 Root      2 has converged.
 Root      3 not converged, maximum delta is    0.001542865632556
 Root      4 not converged, maximum delta is    0.001537830734008
 Root      5 has converged.
 Root      6 not converged, maximum delta is    0.001021918546941
 Root      7 has converged.
 Root      8 not converged, maximum delta is    0.001043780831936
 Root      9 not converged, maximum delta is    0.001181111083647
 Root     10 has converged.
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.040042199954239   Change is   -0.000314327102888
 Root      2 :     2.140819709754333   Change is   -0.000205743329550
 Root      3 :     2.171609262321363   Change is   -0.000316702215564
 Root      4 :     2.173974935435147   Change is   -0.000429259700385
 Root      5 :     2.361310799362216   Change is   -0.000458054752315
 Root      6 :     2.581116994368458   Change is   -0.000373833864275
 Root      7 :     2.666001588490960   Change is   -0.000338721888090
 Root      8 :     2.675026276603102   Change is   -0.000282923170859
 Root      9 :     2.682996792631311   Change is   -0.000514763207674
 Root     10 :     2.706403518125275   Change is   -0.000296583722338
 Iteration     7 Dimension   125 NMult   120 NNew      5
 CISAX will form     5 AO SS matrices at one time.
 NMat=     5 NSing=     5 JSym2X= 0.
 Root      1 has converged.
 Root      2 has converged.
 Root      3 not converged, maximum delta is    0.002177230354162
 Root      4 not converged, maximum delta is    0.002171463103710
 Root      5 has converged.
 Root      6 not converged, maximum delta is    0.001406599097595
 Root      7 has converged.
 Root      8 not converged, maximum delta is    0.001575999583658
 Root      9 not converged, maximum delta is    0.002023065484459
 Root     10 has converged.
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.039759446733994   Change is   -0.000282753220245
 Root      2 :     2.140817925903247   Change is   -0.000001783851087
 Root      3 :     2.170758021439286   Change is   -0.000851240882077
 Root      4 :     2.172996183174560   Change is   -0.000978752260587
 Root      5 :     2.361261755571542   Change is   -0.000049043790674
 Root      6 :     2.580705974193015   Change is   -0.000411020175443
 Root      7 :     2.666001298569347   Change is   -0.000000289921613
 Root      8 :     2.674499650955997   Change is   -0.000526625647105
 Root      9 :     2.682516963218660   Change is   -0.000479829412650
 Root     10 :     2.706400119499927   Change is   -0.000003398625348
 Iteration     8 Dimension   130 NMult   125 NNew      5
 CISAX will form     5 AO SS matrices at one time.
 NMat=     5 NSing=     5 JSym2X= 0.
 Root      1 has converged.
 Root      2 has converged.
 Root      3 has converged.
 Root      4 has converged.
 Root      5 has converged.
 Root      6 has converged.
 Root      7 has converged.
 Root      8 has converged.
 Root      9 has converged.
 Root     10 has converged.
 Excitation Energies [eV] at current iteration:
 Root      1 :     2.039697155007697   Change is   -0.000062291726297
 Root      2 :     2.140817870784702   Change is   -0.000000055118545
 Root      3 :     2.170690841094086   Change is   -0.000067180345200
 Root      4 :     2.172905740523448   Change is   -0.000090442651112
 Root      5 :     2.361257194750124   Change is   -0.000004560821419
 Root      6 :     2.580631824221281   Change is   -0.000074149971734
 Root      7 :     2.666001268450516   Change is   -0.000000030118831
 Root      8 :     2.674412997150338   Change is   -0.000086653805659
 Root      9 :     2.682435409503502   Change is   -0.000081553715159
 Root     10 :     2.706399956843698   Change is   -0.000000162656229
 Convergence achieved on expansion vectors.
 ***********************************************************************
 Excited states from <AA,BB:AA,BB> singles matrix:
 ***********************************************************************
 
 1PDM for each excited state written to RWF  633
 Ground to excited state transition densities written to RWF  633
 Ground to excited state transition electric dipole moments (Au):
       state          X           Y           Z        Dip. S.      Osc.
         1        -0.0020      0.0017     -0.0007      0.0000      0.0000
         2        -0.0062      0.0528      0.4318      0.1893      0.0099
         3        -0.0571     -0.0027      0.0014      0.0033      0.0002
         4         0.7765      0.0015      0.0032      0.6030      0.0321
         5         0.0004     -0.0003     -0.0017      0.0000      0.0000
         6         0.0053      0.0026     -0.0017      0.0000      0.0000
         7         0.0038      0.3418      0.3597      0.2462      0.0161
         8         0.0187     -0.0098      0.0015      0.0004      0.0000
         9         0.2059     -0.0149      0.0019      0.0426      0.0028
        10        -0.0015      0.8096     -0.3129      0.7534      0.0500
 Ground to excited state transition velocity dipole moments (Au):
       state          X           Y           Z        Dip. S.      Osc.
         1         0.0002     -0.0001      0.0001      0.0000      0.0000
         2         0.0005     -0.0044     -0.0358      0.0013      0.0110
         3         0.0047      0.0002     -0.0001      0.0000      0.0002
         4        -0.0648     -0.0001     -0.0003      0.0042      0.0350
         5         0.0000      0.0000      0.0001      0.0000      0.0000
         6        -0.0005     -0.0003      0.0002      0.0000      0.0000
         7        -0.0004     -0.0339     -0.0376      0.0026      0.0174
         8        -0.0019      0.0010     -0.0002      0.0000      0.0000
         9        -0.0230      0.0015     -0.0002      0.0005      0.0036
        10         0.0001     -0.0837      0.0345      0.0082      0.0549
 Ground to excited state transition magnetic dipole moments (Au):
       state          X           Y           Z
         1        -0.0008     -0.6882     -0.2242
         2         0.0016     -0.0004      0.0004
         3        -0.4152      0.0001     -0.0009
         4        -0.0255     -0.0011     -0.0004
         5         0.8966     -0.0001      0.0011
         6        -0.0015      0.6662      0.2262
         7         0.0032     -0.0003     -0.0032
         8         0.0019      0.1156     -0.7715
         9         0.0001     -0.0126      0.0333
        10        -0.0001      0.0000     -0.0045
 Ground to excited state transition velocity quadrupole moments (Au):
       state          XX          YY          ZZ          XY          XZ          YZ
         1        -0.0011      0.0003      0.0000      0.0967      0.2175     -0.0002
         2         0.0010     -0.0009      0.0000      0.0001      0.0008      0.0007
         3        -0.2160      0.1597     -0.0440     -0.0008     -0.0010     -0.1324
         4        -0.0152      0.0115     -0.0029      0.0012      0.0011     -0.0094
         5        -0.0781      0.0385     -0.0561      0.0005      0.0002     -0.0585
         6         0.0004      0.0007      0.0003      0.1525      0.1003     -0.0005
         7        -0.0001      0.0001     -0.0004     -0.0015      0.0002     -0.0005
         8         0.0010      0.0001     -0.0002     -0.2802      0.1022      0.0001
         9        -0.0001      0.0000     -0.0001      0.0128     -0.0071      0.0000
        10        -0.0016      0.0011      0.0001     -0.0017      0.0012     -0.0011
 <0|del|b> * <b|rxdel|0> + <0|del|b> * <b|delr+rdel|0>
 Rotatory Strengths (R) in cgs (10**-40 erg-esu-cm/Gauss)
       state          XX          YY          ZZ    R(velocity)    E-M Angle
         1         0.4966     -0.0800      0.2739      0.2302       90.00
         2        -0.0665     -0.0483     -0.0053     -0.0400       90.00
         3         0.0019    -11.3902     -5.8824     -5.7569      177.01
         4         0.0003     10.0089      4.6072      4.8722       90.00
         5         0.0010     -0.1053     -0.1205     -0.0749       90.00
         6        -0.3092      0.0474     -0.7208     -0.3275      108.24
         7         0.6966      0.2184      0.0063      0.3071       55.74
         8         0.6440      0.2648      0.7525      0.5538       82.20
         9        -0.0636     -0.0273     -0.1159     -0.0689       90.00
        10        -0.4180     -0.3415     -0.3614     -0.3736      112.92
 1/2[<0|r|b>*<b|rxdel|0> + (<0|rxdel|b>*<b|r|0>)*]
 Rotatory Strengths (R) in cgs (10**-40 erg-esu-cm/Gauss)
       state          XX          YY          ZZ     R(length)
         1        -0.0011      0.8271     -0.1127      0.2378
         2         0.0072      0.0149     -0.1358     -0.0379
         3       -16.7599      0.0002      0.0009     -5.5863
         4        13.9924      0.0012      0.0010      4.6649
         5        -0.2299      0.0000      0.0014     -0.0762
         6         0.0056     -1.2401      0.2720     -0.3208
         7        -0.0084      0.0729      0.8027      0.2891
         8        -0.0256      0.7972      0.8205      0.5307
         9        -0.0196     -0.1327     -0.0448     -0.0657
        10        -0.0001     -0.0246     -0.9892     -0.3379
  1/2[<0|del|b>*<b|r|0> + (<0|r|b>*<b|del|0>)*] (Au)
       state          X           Y           Z        Dip. S.   Osc.(frdel)
         1         0.0000      0.0000      0.0000      0.0000      0.0000
         2         0.0000     -0.0002     -0.0155      0.0157      0.0105
         3        -0.0003      0.0000      0.0000      0.0003      0.0002
         4        -0.0503      0.0000      0.0000      0.0503      0.0335
         5         0.0000      0.0000      0.0000      0.0000      0.0000
         6         0.0000      0.0000      0.0000      0.0000      0.0000
         7         0.0000     -0.0116     -0.0135      0.0251      0.0167
         8         0.0000      0.0000      0.0000      0.0000      0.0000
         9        -0.0047      0.0000      0.0000      0.0048      0.0032
        10         0.0000     -0.0678     -0.0108      0.0786      0.0524

 Excitation energies and oscillator strengths:
 
 Excited State   1:      Singlet-A      2.0397 eV  607.86 nm  f=0.0000  <S**2>=0.000
     190 ->191         0.70460
 This state for optimization and/or second-order correction.
 Total Energy, E(TD-HF/TD-KS) =  -18540.0793666    
 Copying the excited state density for this state as the 1-particle RhoCI density.
 
 Excited State   2:      Singlet-A      2.1408 eV  579.14 nm  f=0.0099  <S**2>=0.000
     189 ->191         0.70280
 
 Excited State   3:      Singlet-A      2.1707 eV  571.17 nm  f=0.0002  <S**2>=0.000
     187 ->191         0.70047
 
 Excited State   4:      Singlet-A      2.1729 eV  570.59 nm  f=0.0321  <S**2>=0.000
     188 ->191         0.70152
 
 Excited State   5:      Singlet-A      2.3613 eV  525.08 nm  f=0.0000  <S**2>=0.000
     186 ->191         0.70376
 
 Excited State   6:      Singlet-A      2.5806 eV  480.44 nm  f=0.0000  <S**2>=0.000
     182 ->191         0.10187
     185 ->191         0.69750
 
 Excited State   7:      Singlet-A      2.6660 eV  465.06 nm  f=0.0161  <S**2>=0.000
     183 ->191         0.49928
     184 ->191         0.49393
 
 Excited State   8:      Singlet-A      2.6744 eV  463.59 nm  f=0.0000  <S**2>=0.000
     182 ->191         0.69705
 
 Excited State   9:      Singlet-A      2.6824 eV  462.21 nm  f=0.0028  <S**2>=0.000
     181 ->191         0.70469
 
 Excited State  10:      Singlet-A      2.7064 eV  458.11 nm  f=0.0500  <S**2>=0.000
     183 ->191        -0.48902
     184 ->191         0.49521
 SavETr:  write IOETrn=   770 NScale= 10 NData=  16 NLR=1 NState=   10 LETran=     190.
 Leave Link  914 at Mon Nov 23 17:11:57 2015, MaxMem=   196608000 cpu:      5292.9
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -345.69940-345.69938-345.69936-345.69936-345.69664
 Alpha  occ. eigenvalues -- -345.69660-345.69658-345.69656-345.69304-345.69300
 Alpha  occ. eigenvalues --  -41.67212 -41.67212 -41.67210 -41.67209 -41.66941
 Alpha  occ. eigenvalues --  -41.66936 -41.66935 -41.66932 -41.66546 -41.66542
 Alpha  occ. eigenvalues --  -36.74747 -36.74746 -36.74745 -36.74745 -36.74417
 Alpha  occ. eigenvalues --  -36.74413 -36.74411 -36.74409 -36.74362 -36.74361
 Alpha  occ. eigenvalues --  -36.74360 -36.74359 -36.74304 -36.74303 -36.74302
 Alpha  occ. eigenvalues --  -36.74301 -36.74110 -36.74107 -36.74105 -36.74100
 Alpha  occ. eigenvalues --  -36.74099 -36.74096 -36.74067 -36.74063 -36.74061
 Alpha  occ. eigenvalues --  -36.74058 -36.73655 -36.73651 -36.73651 -36.73648
 Alpha  occ. eigenvalues --  -18.78519 -18.78516 -18.76612 -18.76608 -18.76604
 Alpha  occ. eigenvalues --  -18.76598 -18.75832 -18.75831 -18.75824 -18.75824
 Alpha  occ. eigenvalues --   -4.60212  -4.60210  -4.60209  -4.60209  -4.60013
 Alpha  occ. eigenvalues --   -4.60010  -4.60005  -4.60004  -4.59605  -4.59601
 Alpha  occ. eigenvalues --   -3.04058  -3.04056  -3.04054  -3.04054  -3.03802
 Alpha  occ. eigenvalues --   -3.03800  -3.03774  -3.03773  -3.03487  -3.03482
 Alpha  occ. eigenvalues --   -3.03221  -3.03219  -3.03218  -3.03216  -3.03101
 Alpha  occ. eigenvalues --   -3.03100  -3.03098  -3.03097  -3.03035  -3.03033
 Alpha  occ. eigenvalues --   -3.03019  -3.03019  -3.02954  -3.02953  -3.02943
 Alpha  occ. eigenvalues --   -3.02942  -3.02558  -3.02553  -3.02524  -3.02519
 Alpha  occ. eigenvalues --   -0.84545  -0.84096  -0.82974  -0.82836  -0.82632
 Alpha  occ. eigenvalues --   -0.82173  -0.81477  -0.81267  -0.80975  -0.80950
 Alpha  occ. eigenvalues --   -0.42584  -0.42356  -0.41710  -0.41596  -0.41384
 Alpha  occ. eigenvalues --   -0.41313  -0.41136  -0.41075  -0.40523  -0.40470
 Alpha  occ. eigenvalues --   -0.39931  -0.39876  -0.39861  -0.39764  -0.39619
 Alpha  occ. eigenvalues --   -0.39572  -0.39232  -0.39102  -0.38901  -0.38866
 Alpha  occ. eigenvalues --   -0.38837  -0.38810  -0.38789  -0.38769  -0.38692
 Alpha  occ. eigenvalues --   -0.38684  -0.38642  -0.38199  -0.37981  -0.37574
 Alpha  occ. eigenvalues --   -0.37395  -0.37254  -0.37246  -0.37159  -0.37152
 Alpha  occ. eigenvalues --   -0.37143  -0.37124  -0.37096  -0.37075  -0.37045
 Alpha  occ. eigenvalues --   -0.36967  -0.36963  -0.36910  -0.36781  -0.36646
 Alpha  occ. eigenvalues --   -0.36617  -0.36602  -0.36472  -0.36401  -0.36253
 Alpha  occ. eigenvalues --   -0.33076  -0.32340  -0.31895  -0.31877  -0.31744
 Alpha  occ. eigenvalues --   -0.31385  -0.30542  -0.29737  -0.29721  -0.29319
 Alpha  occ. eigenvalues --   -0.29119  -0.29003  -0.26767  -0.26622  -0.26132
 Alpha  occ. eigenvalues --   -0.25952  -0.25206  -0.25144  -0.24708  -0.24034
 Alpha  occ. eigenvalues --   -0.23355  -0.23261  -0.23231  -0.23114  -0.22949
 Alpha  occ. eigenvalues --   -0.22162  -0.21343  -0.21311  -0.21234  -0.20904
 Alpha virt. eigenvalues --   -0.13630  -0.10178  -0.07764  -0.07486  -0.06727
 Alpha virt. eigenvalues --   -0.06622  -0.04273  -0.03889  -0.03711  -0.02524
 Alpha virt. eigenvalues --   -0.02206  -0.01732   0.01192   0.01449   0.02339
 Alpha virt. eigenvalues --    0.04165   0.04679   0.04840   0.04921   0.05764
 Alpha virt. eigenvalues --    0.06215   0.06732   0.07286   0.08087   0.08480
 Alpha virt. eigenvalues --    0.08536   0.08721   0.09247   0.09873   0.10542
 Alpha virt. eigenvalues --    0.10552   0.10657   0.10934   0.11201   0.11791
 Alpha virt. eigenvalues --    0.13419   0.13812   0.13870   0.15194   0.15756
 Alpha virt. eigenvalues --    0.16662   0.17057   0.17596   0.19054   0.19869
 Alpha virt. eigenvalues --    0.20210   0.20689   0.21366   0.22841   0.23379
 Alpha virt. eigenvalues --    0.23426   0.23499   0.24496   0.25722   0.25732
 Alpha virt. eigenvalues --    0.26735   0.27502   0.27861   0.29815   0.30078
 Alpha virt. eigenvalues --    0.30612   0.31013   0.31139   0.32473   0.33766
 Alpha virt. eigenvalues --    0.33951   0.35813   0.37604   0.37738   0.38657
 Alpha virt. eigenvalues --    0.38887   0.39293   0.40527   0.43030   0.43141
 Alpha virt. eigenvalues --    0.43670   0.45203   0.47181   0.51232   0.53042
 Alpha virt. eigenvalues --    0.88858   0.91543   0.92827   0.92839   0.94297
 Alpha virt. eigenvalues --    0.95203   0.95353   0.96089   0.99425   0.99534
 Alpha virt. eigenvalues --    0.99653   1.01626   1.04567   1.04600   1.04750
 Alpha virt. eigenvalues --    1.05306   1.05384   1.05800   1.07064   1.07493
 Alpha virt. eigenvalues --    1.07916   1.08914   1.10671   1.11769   1.11822
 Alpha virt. eigenvalues --    1.12229   1.13544   1.20177   1.21278   1.22849
 Alpha virt. eigenvalues --    1.23739   1.25309   1.25964   1.26220   1.26645
 Alpha virt. eigenvalues --    1.30706   1.32681   1.33068   1.34278   1.35994
 Alpha virt. eigenvalues --    1.38442   1.39311   1.39613   1.41701   1.43002
 Alpha virt. eigenvalues --    1.43343   1.43643   1.44931   1.44985   1.48412
 Alpha virt. eigenvalues --    1.48547   1.49461   1.50148   1.51057   1.51293
 Alpha virt. eigenvalues --    1.53222   1.53939   1.55094   1.55124   1.55760
 Alpha virt. eigenvalues --    1.57380   1.57703   1.57717   1.59398   1.59773
 Alpha virt. eigenvalues --    1.61355   1.61380   1.62100   1.63050   1.63110
 Alpha virt. eigenvalues --    1.63474   1.64352   1.64948   1.66047   1.66450
 Alpha virt. eigenvalues --    1.67091   1.67564   1.67858   1.67875   1.68117
 Alpha virt. eigenvalues --    1.68791   1.69051   1.69444   1.69985   1.70371
 Alpha virt. eigenvalues --    1.71030   1.72367   1.72644   1.73191   1.73531
 Alpha virt. eigenvalues --    1.73707   1.74183   1.74706   1.75109   1.76008
 Alpha virt. eigenvalues --    1.76429   1.80434   1.81088   1.82744   1.82795
 Alpha virt. eigenvalues --    2.01899   2.02479   2.03420   2.03447   2.03714
 Alpha virt. eigenvalues --    2.05122   2.05233   2.05460   2.07232   2.08317
 Alpha virt. eigenvalues --    2.08407   2.08812   2.09138   2.09493   2.09682
 Alpha virt. eigenvalues --    2.11634   2.11758   2.12384   2.12966   2.14946
 Alpha virt. eigenvalues --    2.16500   2.16555   2.17110   2.17909   2.18903
 Alpha virt. eigenvalues --    2.19609   2.21106   2.21154   2.21251   2.21318
 Alpha virt. eigenvalues --    2.21455   2.21981   2.23934   2.24496   2.25358
 Alpha virt. eigenvalues --    2.25774   2.26332   2.26695   2.27106   2.27343
 Alpha virt. eigenvalues --    2.27502   2.28201   2.28695   2.28872   2.29311
 Alpha virt. eigenvalues --    2.29605   2.30569   2.30842   2.31431   2.31640
 Alpha virt. eigenvalues --    2.31863   2.32336   2.33306   2.33689   2.34354
 Alpha virt. eigenvalues --    2.34636   2.35490   2.35633   2.36009   2.36080
 Alpha virt. eigenvalues --    2.36382   2.37376   2.37551   2.38633   2.39303
 Alpha virt. eigenvalues --    2.39842   2.40215   2.40346   2.41691   2.41933
 Alpha virt. eigenvalues --    2.42327   2.42664   2.44951   2.45131   2.45233
 Alpha virt. eigenvalues --    2.45786   2.46647   2.47475   2.49936   2.50479
 Alpha virt. eigenvalues --    2.51417   2.51814   2.53336   2.53438   2.56472
 Alpha virt. eigenvalues --    2.56966   2.61381   2.63417   2.63890   2.64985
 Alpha virt. eigenvalues --    2.67265   2.67760   2.71943   2.72916   2.76948
 Alpha virt. eigenvalues --    2.76978   2.77426   2.78040   2.81151   2.81310
 Alpha virt. eigenvalues --    2.85286   2.86731   2.88087   2.89773   2.89859
 Alpha virt. eigenvalues --    2.90955   2.91011   2.94628   2.97072   2.97988
 Alpha virt. eigenvalues --    3.00403   3.00570   3.02943   3.07487   3.07771
 Alpha virt. eigenvalues --    3.08483   3.09731   3.10301   3.11976   3.12397
 Alpha virt. eigenvalues --    3.72806   3.75380   3.77696   3.81089   3.87044
 Alpha virt. eigenvalues --    3.88039   3.88581   3.89306   3.96588   3.96700
 Alpha virt. eigenvalues --   47.05777  47.05852  47.07116  47.07646  47.08596
 Alpha virt. eigenvalues --   47.08757  47.10544  47.11151  47.11298  47.11503
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.284496   0.150429  -0.003769  -0.004685   0.000001   0.002519
     2  Zn   0.150429  29.866144   0.194434  -0.302241   0.003127   0.023234
     3  O   -0.003769   0.194434   8.285626   0.150685  -0.018518   0.008727
     4  Zn  -0.004685  -0.302241   0.150685  29.985194   0.181590  -0.084995
     5  O    0.000001   0.003127  -0.018518   0.181590   8.263047   0.154274
     6  Zn   0.002519   0.023234   0.008727  -0.084995   0.154274  29.779835
     7  O   -0.001520  -0.003338  -0.002921   0.005365  -0.015702   0.159789
     8  Zn  -0.003561  -0.089348   0.158567  -0.529700   0.159801  -0.352055
     9  Zn   0.182158  -0.369728   0.004618   0.261472   0.005355  -0.529339
    10  O   -0.004216  -0.008331  -0.000023   0.004505  -0.002925   0.158596
    11  Zn  -0.004642  -0.305221   0.007214  -0.213407   0.000427   0.004177
    12  O   -0.000182   0.025613  -0.004208   0.182309  -0.001516  -0.003646
    13  Zn   0.025955   0.286121  -0.008396  -0.372030  -0.003354  -0.088394
    14  O    0.000001   0.003137   0.000000   0.000435   0.000000  -0.000094
    15  Zn  -0.003625  -0.087417  -0.000039   0.015766  -0.000062   0.000538
    16  O   -0.003777   0.194419  -0.003382   0.007112   0.000000   0.000142
    17  Zn   0.182256  -0.370576   0.000714  -0.041589   0.000862   0.016029
    18  O   -0.001513  -0.003334   0.000000   0.000867   0.000000  -0.000062
    19  Zn   0.002519   0.022993   0.000146   0.004414  -0.000094  -0.005303
    20  O   -0.004247  -0.008342   0.000000   0.000721   0.000000  -0.000029
               7          8          9         10         11         12
     1  O   -0.001520  -0.003561   0.182158  -0.004216  -0.004642  -0.000182
     2  Zn  -0.003338  -0.089348  -0.369728  -0.008331  -0.305221   0.025613
     3  O   -0.002921   0.158567   0.004618  -0.000023   0.007214  -0.004208
     4  Zn   0.005365  -0.529700   0.261472   0.004505  -0.213407   0.182309
     5  O   -0.015702   0.159801   0.005355  -0.002925   0.000427  -0.001516
     6  Zn   0.159789  -0.352055  -0.529339   0.158596   0.004177  -0.003646
     7  O    8.263463   0.154270   0.181401  -0.018531   0.000873   0.000001
     8  Zn   0.154270  29.779856  -0.084632   0.008799   0.016345   0.002536
     9  Zn   0.181401  -0.084632  29.984155   0.150947  -0.041538  -0.004605
    10  O   -0.018531   0.008799   0.150947   8.285490   0.000739  -0.003755
    11  Zn   0.000873   0.016345  -0.041538   0.000739  29.986238   0.182215
    12  O    0.000001   0.002536  -0.004605  -0.003755   0.182215   8.284106
    13  Zn   0.003152   0.023831  -0.306925   0.194246  -0.371066   0.150401
    14  O    0.000000  -0.000062   0.000869   0.000000   0.181482  -0.001523
    15  Zn  -0.000093  -0.005278   0.004063   0.000137  -0.529719   0.002533
    16  O    0.000000  -0.000025   0.000730   0.000000   0.150803  -0.004179
    17  Zn   0.000431   0.004313  -0.211940   0.007117   0.261411  -0.004647
    18  O    0.000000  -0.000094   0.000422   0.000000   0.005356   0.000001
    19  Zn  -0.000062   0.000535   0.016630  -0.000016  -0.084636  -0.003582
    20  O    0.000000   0.000142   0.007225  -0.003381   0.004557  -0.003748
              13         14         15         16         17         18
     1  O    0.025955   0.000001  -0.003625  -0.003777   0.182256  -0.001513
     2  Zn   0.286121   0.003137  -0.087417   0.194419  -0.370576  -0.003334
     3  O   -0.008396   0.000000  -0.000039  -0.003382   0.000714   0.000000
     4  Zn  -0.372030   0.000435   0.015766   0.007112  -0.041589   0.000867
     5  O   -0.003354   0.000000  -0.000062   0.000000   0.000862   0.000000
     6  Zn  -0.088394  -0.000094   0.000538   0.000142   0.016029  -0.000062
     7  O    0.003152   0.000000  -0.000093   0.000000   0.000431   0.000000
     8  Zn   0.023831  -0.000062  -0.005278  -0.000025   0.004313  -0.000094
     9  Zn  -0.306925   0.000869   0.004063   0.000730  -0.211940   0.000422
    10  O    0.194246   0.000000   0.000137   0.000000   0.007117   0.000000
    11  Zn  -0.371066   0.181482  -0.529719   0.150803   0.261411   0.005356
    12  O    0.150401  -0.001523   0.002533  -0.004179  -0.004647   0.000001
    13  Zn  29.874251  -0.003362   0.024103  -0.008385  -0.303755   0.003138
    14  O   -0.003362   8.263203   0.159880  -0.018542   0.005360  -0.015702
    15  Zn   0.024103   0.159880  29.779019   0.158546  -0.085038   0.154213
    16  O   -0.008385  -0.018542   0.158546   8.285647   0.004576  -0.002923
    17  Zn  -0.303755   0.005360  -0.085038   0.004576  29.982612   0.181533
    18  O    0.003138  -0.015702   0.154213  -0.002923   0.181533   8.263341
    19  Zn  -0.090344   0.154343  -0.352000   0.008822  -0.529094   0.159713
    20  O    0.194255  -0.002924   0.008695  -0.000023   0.150842  -0.018516
              19         20
     1  O    0.002519  -0.004247
     2  Zn   0.022993  -0.008342
     3  O    0.000146   0.000000
     4  Zn   0.004414   0.000721
     5  O   -0.000094   0.000000
     6  Zn  -0.005303  -0.000029
     7  O   -0.000062   0.000000
     8  Zn   0.000535   0.000142
     9  Zn   0.016630   0.007225
    10  O   -0.000016  -0.003381
    11  Zn  -0.084636   0.004557
    12  O   -0.003582  -0.003748
    13  Zn  -0.090344   0.194255
    14  O    0.154343  -0.002924
    15  Zn  -0.352000   0.008695
    16  O    0.008822  -0.000023
    17  Zn  -0.529094   0.150842
    18  O    0.159713  -0.018516
    19  Zn  29.780307   0.158624
    20  O    0.158624   8.285483
 Mulliken charges:
               1
     1  O   -0.794596
     2  Zn   0.778225
     3  O   -0.769475
     4  Zn   0.748213
     5  O   -0.726314
     6  Zn   0.756058
     7  O   -0.726577
     8  Zn   0.755762
     9  Zn   0.748662
    10  O   -0.769397
    11  Zn   0.748394
    12  O   -0.794125
    13  Zn   0.776559
    14  O   -0.726501
    15  Zn   0.755777
    16  O   -0.769559
    17  Zn   0.748583
    18  O   -0.726440
    19  Zn   0.756082
    20  O   -0.769333
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.794596
     2  Zn   0.778225
     3  O   -0.769475
     4  Zn   0.748213
     5  O   -0.726314
     6  Zn   0.756058
     7  O   -0.726577
     8  Zn   0.755762
     9  Zn   0.748662
    10  O   -0.769397
    11  Zn   0.748394
    12  O   -0.794125
    13  Zn   0.776559
    14  O   -0.726501
    15  Zn   0.755777
    16  O   -0.769559
    17  Zn   0.748583
    18  O   -0.726440
    19  Zn   0.756082
    20  O   -0.769333
 Electronic spatial extent (au):  <R**2>=          11592.0846
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0004    Y=             -0.0010    Z=              0.0237  Tot=              0.0237
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -192.4318   YY=           -191.4252   ZZ=           -184.3386
   XY=              0.0238   XZ=             -0.0048   YZ=             -2.7327
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.0332   YY=             -2.0267   ZZ=              5.0599
   XY=              0.0238   XZ=             -0.0048   YZ=             -2.7327
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0105  YYY=             -0.0097  ZZZ=              0.2429  XYY=             -0.0022
  XXY=              0.0116  XXZ=              0.0421  XZZ=             -0.0071  YZZ=              0.0248
  YYZ=              0.0974  XYZ=              0.0003
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6310.6067 YYYY=          -2064.4894 ZZZZ=          -1670.0235 XXXY=              1.0751
 XXXZ=             -0.0052 YYYX=              0.1518 YYYZ=            118.3056 ZZZX=             -0.0557
 ZZZY=            -63.4182 XXYY=          -1382.1121 XXZZ=          -1328.9188 YYZZ=           -592.7646
 XXYZ=           -230.7363 YYXZ=              0.0085 ZZXY=             -0.3183
 N-N= 1.019333928861D+04 E-N=-6.474175598100D+04  KE= 1.850409095053D+04
 Leave Link  601 at Mon Nov 23 17:11:58 2015, MaxMem=   196608000 cpu:         4.3
 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l9999.exe)
 1\1\GINC-G2NODEN12\SP\RPBEPBE TD-FC\6-31G(d)\O10Zn10\G4ROSENDO\23-Nov-
 2015\0\\#p pbepbe/6-31G* td(singlets,nstates=10)\\ZnO 10\\0,1\O,0,3.25
 422625,1.27930585,-2.54529614\Zn,0,2.24859735,-0.44790645,-2.74547013\
 O,0,3.22448354,-2.01425234,-3.19002709\Zn,0,3.40374636,-1.80554341,-5.
 20959503\O,0,5.25270943,-2.29560427,-5.24774549\Zn,0,5.99419054,-0.542
 86846,-5.22935256\O,0,6.28848283,-0.42881245,-3.16157625\Zn,0,5.123246
 14,-1.93265943,-3.19033674\Zn,0,4.96040891,0.94341796,-3.28777063\O,0,
 5.13698492,1.15172617,-5.3069589\Zn,0,0.6020185,-0.16611529,-5.2830876
 3\O,0,2.30611968,-0.50267796,-6.02913818\Zn,0,3.31139087,1.22419605,-5
 .82287052\O,0,-0.72661336,1.20584185,-5.41057105\Zn,0,-0.43367086,1.32
 094499,-3.34238586\O,0,0.42394706,-0.37365245,-3.26432151\Zn,0,2.15599
 088,2.58444037,-3.3610289\O,0,0.30716576,3.0737605,-3.32446397\Zn,0,0.
 43812201,2.71026983,-5.38146546\O,0,2.33665319,2.79214294,-5.38100795\
 \Version=ES64L-G09RevD.01\State=1-A\HF=-18540.1543241\RMSD=3.897e-09\P
 G=C01 [X(O10Zn10)]\\@


 A BIRD IN THE HAND IS SAFER THAN ONE OVERHEAD.

                       -- NEWTON'S SEVENTH LAW
 Job cpu time:       0 days  2 hours 14 minutes 10.9 seconds.
 File lengths (MBytes):  RWF=    597 Int=      0 D2E=      0 Chk=     98 Scr=      1
 Normal termination of Gaussian 09 at Mon Nov 23 17:12:00 2015.