Entering Gaussian System, Link 0=g09
 Input=N2.inp
 Output=N2.out
 Initial command:
 /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/41496/Gau-39967.inp" -scrdir="/mnt/beegfs/tmpdir/41496/"
 Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID=     39968.
  
 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
                26-Mar-2019 
 ******************************************
 -------------------------------------
 #p ROCCSD(T) cc-pVDZ pop=full gfprint
 -------------------------------------
 1/38=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=16,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
 4//1;
 5/5=2,38=5/2;
 8/5=-1,6=4,9=120000,10=1/1,4;
 9/5=7,14=2/13;
 6/7=3/1;
 99/5=1,9=1/99;
 Leave Link    1 at Tue Mar 26 00:00:37 2019, MaxMem=           0 cpu:         0.0
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
 --
 G2
 --
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 N
 N                    1    NN
       Variables:
  NN                    1.09879                  
 
 NAtoms=      2 NQM=        2 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
 IAtWgt=          14          14
 AtmWgt=  14.0030740  14.0030740
 NucSpn=           2           2
 AtZEff=   0.0000000   0.0000000
 NQMom=    2.0440000   2.0440000
 NMagM=    0.4037610   0.4037610
 AtZNuc=   7.0000000   7.0000000
 Leave Link  101 at Tue Mar 26 00:00:37 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.000000
      2          7           0        0.000000    0.000000    1.098792
 ---------------------------------------------------------------------
 Stoichiometry    N2
 Framework group  D*H[C*(N.N)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.549396
      2          7           0        0.000000    0.000000   -0.549396
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0000000     59.7851039     59.7851039
 Leave Link  202 at Tue Mar 26 00:00:37 2019, MaxMem=    33554432 cpu:         0.0
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
 Standard basis: CC-pVDZ (5D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  4 primitive shells out of 44 were deleted.
 AO basis set (Overlap normalization):
 Atom N1       Shell     1 S   7     bf    1 -     1          0.000000000000          0.000000000000          1.038207789530
      0.9046000000D+04  0.7017087426D-03
      0.1357000000D+04  0.5402998803D-02
      0.3093000000D+03  0.2747295103D-01
      0.8773000000D+02  0.1035145797D+00
      0.2856000000D+02  0.2795865786D+00
      0.1021000000D+02  0.4513172405D+00
      0.3838000000D+01  0.2806268749D+00
 Atom N1       Shell     2 S   7     bf    2 -     2          0.000000000000          0.000000000000          1.038207789530
      0.9046000000D+04  0.7774467966D-05
      0.3093000000D+03  0.3007420716D-03
      0.8773000000D+02 -0.2800165487D-02
      0.2856000000D+02 -0.9897085049D-02
      0.1021000000D+02 -0.1143311135D+00
      0.3838000000D+01 -0.1181623826D+00
      0.7466000000D+00  0.1097868854D+01
 Atom N1       Shell     3 S   1     bf    3 -     3          0.000000000000          0.000000000000          1.038207789530
      0.2248000000D+00  0.1000000000D+01
 Atom N1       Shell     4 P   3     bf    4 -     6          0.000000000000          0.000000000000          1.038207789530
      0.1355000000D+02  0.5890567677D-01
      0.2917000000D+01  0.3204611067D+00
      0.7973000000D+00  0.7530420618D+00
 Atom N1       Shell     5 P   1     bf    7 -     9          0.000000000000          0.000000000000          1.038207789530
      0.2185000000D+00  0.1000000000D+01
 Atom N1       Shell     6 D   1     bf   10 -    14          0.000000000000          0.000000000000          1.038207789530
      0.8170000000D+00  0.1000000000D+01
 Atom N2       Shell     7 S   7     bf   15 -    15          0.000000000000          0.000000000000         -1.038207789530
      0.9046000000D+04  0.7017087426D-03
      0.1357000000D+04  0.5402998803D-02
      0.3093000000D+03  0.2747295103D-01
      0.8773000000D+02  0.1035145797D+00
      0.2856000000D+02  0.2795865786D+00
      0.1021000000D+02  0.4513172405D+00
      0.3838000000D+01  0.2806268749D+00
 Atom N2       Shell     8 S   7     bf   16 -    16          0.000000000000          0.000000000000         -1.038207789530
      0.9046000000D+04  0.7774467966D-05
      0.3093000000D+03  0.3007420716D-03
      0.8773000000D+02 -0.2800165487D-02
      0.2856000000D+02 -0.9897085049D-02
      0.1021000000D+02 -0.1143311135D+00
      0.3838000000D+01 -0.1181623826D+00
      0.7466000000D+00  0.1097868854D+01
 Atom N2       Shell     9 S   1     bf   17 -    17          0.000000000000          0.000000000000         -1.038207789530
      0.2248000000D+00  0.1000000000D+01
 Atom N2       Shell    10 P   3     bf   18 -    20          0.000000000000          0.000000000000         -1.038207789530
      0.1355000000D+02  0.5890567677D-01
      0.2917000000D+01  0.3204611067D+00
      0.7973000000D+00  0.7530420618D+00
 Atom N2       Shell    11 P   1     bf   21 -    23          0.000000000000          0.000000000000         -1.038207789530
      0.2185000000D+00  0.1000000000D+01
 Atom N2       Shell    12 D   1     bf   24 -    28          0.000000000000          0.000000000000         -1.038207789530
      0.8170000000D+00  0.1000000000D+01
 There are     8 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     1 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     3 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     3 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     1 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     8 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     7 symmetry adapted basis functions of AG  symmetry.
 There are     1 symmetry adapted basis functions of B1G symmetry.
 There are     3 symmetry adapted basis functions of B2G symmetry.
 There are     3 symmetry adapted basis functions of B3G symmetry.
 There are     1 symmetry adapted basis functions of AU  symmetry.
 There are     7 symmetry adapted basis functions of B1U symmetry.
 There are     3 symmetry adapted basis functions of B2U symmetry.
 There are     3 symmetry adapted basis functions of B3U symmetry.
    28 basis functions,    66 primitive gaussians,    30 cartesian basis functions
     7 alpha electrons        7 beta electrons
       nuclear repulsion energy        23.5983588710 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=    2 NActive=    2 NUniq=    1 SFac= 4.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Tue Mar 26 00:00:37 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/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.
 One-electron integral symmetry used in STVInt
 NBasis=    28 RedAO= T EigKep=  8.73D-03  NBF=     7     1     3     3     1     7     3     3
 NBsUse=    28 1.00D-06 EigRej= -1.00D+00 NBFU=     7     1     3     3     1     7     3     3
 Leave Link  302 at Tue Mar 26 00:00:37 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Tue Mar 26 00:00:37 2019, MaxMem=    33554432 cpu:         0.0
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
 ExpMin= 2.19D-01 ExpMax= 9.05D+03 ExpMxC= 3.09D+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= -108.911666850921    
 JPrj=0 DoOrth=F DoCkMO=F.
 Initial guess orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGU) (PIU) (PIU) (SGG)
       Virtual   (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG) (PIG)
                 (PIG) (SGU) (SGU) (DLTG) (DLTG) (PIU) (PIU) (DLTU)
                 (DLTU) (SGG) (PIG) (PIG) (SGU)
 The electronic state of the initial guess is 1-SGG.
 Leave Link  401 at Tue Mar 26 00:00:37 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
 Restricted open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=942495.
 IVT=       21794 IEndB=       21794 NGot=    33554432 MDV=    33507269
 LenX=    33507269 LenY=    33505928
 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.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=    406 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -108.935241325810    
 DIIS: error= 4.56D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -108.935241325810     IErMin= 1 ErrMin= 4.56D-02
 ErrMax= 4.56D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-02 BMatP= 4.06D-02
 IDIUse=3 WtCom= 5.44D-01 WtEn= 4.56D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.795 Goal=   None    Shift=    0.000
 GapD=    0.795 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
 RMSDP=4.01D-03 MaxDP=2.66D-02              OVMax= 4.01D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -108.953285511351     Delta-E=       -0.018044185541 Rises=F Damp=F
 DIIS: error= 5.71D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -108.953285511351     IErMin= 2 ErrMin= 5.71D-03
 ErrMax= 5.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.70D-04 BMatP= 4.06D-02
 IDIUse=3 WtCom= 9.43D-01 WtEn= 5.71D-02
 Coeff-Com: -0.426D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.401D-01 0.104D+01
 Gap=     0.784 Goal=   None    Shift=    0.000
 RMSDP=1.05D-03 MaxDP=1.17D-02 DE=-1.80D-02 OVMax= 8.55D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -108.953929924649     Delta-E=       -0.000644413298 Rises=F Damp=F
 DIIS: error= 1.66D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -108.953929924649     IErMin= 3 ErrMin= 1.66D-03
 ErrMax= 1.66D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.31D-05 BMatP= 7.70D-04
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.66D-02
 Coeff-Com: -0.137D-01 0.827D-01 0.931D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.134D-01 0.813D-01 0.932D+00
 Gap=     0.783 Goal=   None    Shift=    0.000
 RMSDP=1.78D-04 MaxDP=1.24D-03 DE=-6.44D-04 OVMax= 2.14D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -108.953971978895     Delta-E=       -0.000042054246 Rises=F Damp=F
 DIIS: error= 3.38D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -108.953971978895     IErMin= 4 ErrMin= 3.38D-04
 ErrMax= 3.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-06 BMatP= 3.31D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.38D-03
 Coeff-Com:  0.369D-02-0.576D-01-0.158D+00 0.121D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.368D-02-0.574D-01-0.157D+00 0.121D+01
 Gap=     0.783 Goal=   None    Shift=    0.000
 RMSDP=7.25D-05 MaxDP=5.53D-04 DE=-4.21D-05 OVMax= 5.65D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -108.953974607215     Delta-E=       -0.000002628320 Rises=F Damp=F
 DIIS: error= 2.40D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -108.953974607215     IErMin= 5 ErrMin= 2.40D-05
 ErrMax= 2.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-09 BMatP= 1.93D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-03 0.233D-02 0.149D-02-0.623D-01 0.106D+01
 Coeff:     -0.112D-03 0.233D-02 0.149D-02-0.623D-01 0.106D+01
 Gap=     0.783 Goal=   None    Shift=    0.000
 RMSDP=5.44D-06 MaxDP=4.75D-05 DE=-2.63D-06 OVMax= 3.32D-05

 Cycle   6  Pass 1  IDiag  1:
 E= -108.953974618258     Delta-E=       -0.000000011043 Rises=F Damp=F
 DIIS: error= 4.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -108.953974618258     IErMin= 6 ErrMin= 4.30D-06
 ErrMax= 4.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-10 BMatP= 7.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.225D-04 0.408D-03 0.151D-02-0.517D-02-0.236D+00 0.124D+01
 Coeff:     -0.225D-04 0.408D-03 0.151D-02-0.517D-02-0.236D+00 0.124D+01
 Gap=     0.783 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=1.29D-05 DE=-1.10D-08 OVMax= 1.05D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -108.953974618718     Delta-E=       -0.000000000460 Rises=F Damp=F
 DIIS: error= 3.94D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -108.953974618718     IErMin= 7 ErrMin= 3.94D-07
 ErrMax= 3.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-12 BMatP= 2.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.788D-05-0.145D-03-0.431D-03 0.240D-02 0.411D-01-0.272D+00
 Coeff-Com:  0.123D+01
 Coeff:      0.788D-05-0.145D-03-0.431D-03 0.240D-02 0.411D-01-0.272D+00
 Coeff:      0.123D+01
 Gap=     0.783 Goal=   None    Shift=    0.000
 RMSDP=9.34D-08 MaxDP=7.89D-07 DE=-4.60D-10 OVMax= 8.20D-07

 Cycle   8  Pass 1  IDiag  1:
 E= -108.953974618721     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 2.57D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -108.953974618721     IErMin= 8 ErrMin= 2.57D-08
 ErrMax= 2.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-14 BMatP= 1.98D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.922D-06 0.172D-04 0.526D-04-0.320D-03-0.326D-02 0.258D-01
 Coeff-Com: -0.185D+00 0.116D+01
 Coeff:     -0.922D-06 0.172D-04 0.526D-04-0.320D-03-0.326D-02 0.258D-01
 Coeff:     -0.185D+00 0.116D+01
 Gap=     0.783 Goal=   None    Shift=    0.000
 RMSDP=6.11D-09 MaxDP=3.67D-08 DE=-3.07D-12 OVMax= 4.41D-08

 SCF Done:  E(ROHF) =  -108.953974619     A.U. after    8 cycles
            NFock=  8  Conv=0.61D-08     -V/T= 2.0023
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 <L.S>= 0.000000000000E+00
 KE= 1.087078528021D+02 PE=-3.028994378487D+02 EE= 6.163925155688D+01
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.0000,   after     0.0000
 Leave Link  502 at Tue Mar 26 00:00:38 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
 Windowed orbitals will be sorted by symmetry type.
 GenMOA:  NOpAll=  8 NOp2=8 NOpUse=  8 JSym2X=1
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       0 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 ExpMin= 2.19D-01 ExpMax= 9.05D+03 ExpMxC= 3.09D+02 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  1.17D-04
 Largest core mixing into a valence orbital is  7.00D-05
 Largest valence mixing into a core orbital is  1.17D-04
 Largest core mixing into a valence orbital is  7.00D-05
 Range of M.O.s used for correlation:     3    28
 NBasis=    28 NAE=     7 NBE=     7 NFC=     2 NFV=     0
 NROrb=     26 NOA=     5 NOB=     5 NVA=    21 NVB=    21
 Singles contribution to E2=   -0.3767242052D-16
 Leave Link  801 at Tue Mar 26 00:00:38 2019, MaxMem=    33554432 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
 Open-shell transformation, MDV=    33554432 ITran=4 ISComp=2.
 Semi-Direct transformation.
 ModeAB=           4 MOrb=             5 LenV=      33371258
 LASXX=         4769 LTotXX=        4769 LenRXX=       10489
 LTotAB=        5720 MaxLAS=       36660 LenRXY=           0
 NonZer=       15258 LenScr=      720896 LnRSAI=       36660
 LnScr1=      720896 LExtra=           0 Total=      1488941
 MaxDsk=          -1 SrtSym=           T ITran=            4
 DoSDTr:  NPSUse=  1
 JobTyp=1 Pass  1:  I=   1 to   5.
 (rs|ai) integrals will be sorted in core.
 Complete sort for first half transformation.
 First half transformation complete.
 Complete sort for second half transformation.
 Second half transformation complete.
 ModeAB=           4 MOrb=             5 LenV=      33371258
 LASXX=         4769 LTotXX=        4769 LenRXX=        8489
 LTotAB=        3720 MaxLAS=       36660 LenRXY=           0
 NonZer=       13258 LenScr=      720896 LnRSAI=       36660
 LnScr1=      720896 LExtra=           0 Total=      1486941
 MaxDsk=          -1 SrtSym=           T ITran=            4
 DoSDTr:  NPSUse=  1
 JobTyp=2 Pass  1:  I=   1 to   5.
 (rs|ai) integrals will be sorted in core.
 Complete sort for first half transformation.
 First half transformation complete.
 Complete sort for second half transformation.
 Second half transformation complete.
 Spin components of T(2) and E(2):
     alpha-alpha T2 =       0.1430930004D-01 E2=     -0.4094208792D-01
     alpha-beta  T2 =       0.7880981635D-01 E2=     -0.2247419825D+00
     beta-beta   T2 =       0.1430930004D-01 E2=     -0.4094208792D-01
 ANorm=    0.1052344248D+01
 E2 =    -0.3066261583D+00 EUMP2 =    -0.10926060077703D+03
 (S**2,0)=  0.00000D+00           (S**2,1)=  0.00000D+00
 E(PUHF)=      -0.10895397462D+03        E(PMP2)=      -0.10926060078D+03
 Leave Link  804 at Tue Mar 26 00:00:38 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
 CIDS:  MDV=    33554432.
 Frozen-core window:  NFC=   2 NFV=   0.
 IFCWin=0 IBDFC=1 NFBD=     0     0 NFCmp=     0     0 NFFFC=     0     0
 Using original routines for 1st iteration, S=T.
 Using DD4UQ or CC4UQ for 2nd and later iterations.
 Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=906303.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=    406 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 CCSD(T)
 =======
 Iterations=  50 Convergence= 0.100D-06
 Iteration Nr.   1
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 MP4(R+Q)=  0.14089300D-02
 Maximum subspace dimension=  5
 Norm of the A-vectors is  6.1432809D-02 conv= 1.00D-05.
 RLE energy=       -0.3007686783
 E3=        0.45626246D-02        EROMP3=      -0.10925603815D+03
 E4(SDQ)=  -0.87775873D-02        ROMP4(SDQ)=  -0.10926481574D+03
 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
 DE(Corr)= -0.30065460     E(Corr)=     -109.25462922    
 NORM(A)=   0.10499792D+01
 Iteration Nr.   2
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  3.7169672D-01 conv= 1.00D-05.
 RLE energy=       -0.2998997979
 DE(Corr)= -0.29582987     E(CORR)=     -109.24980449     Delta= 4.82D-03
 NORM(A)=   0.10494542D+01
 Iteration Nr.   3
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  3.1032182D-01 conv= 1.00D-05.
 RLE energy=       -0.3058194965
 DE(Corr)= -0.29794963     E(CORR)=     -109.25192425     Delta=-2.12D-03
 NORM(A)=   0.10525079D+01
 Iteration Nr.   4
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  1.2819859D-01 conv= 1.00D-05.
 RLE energy=       -0.3100021651
 DE(Corr)= -0.30457531     E(CORR)=     -109.25854993     Delta=-6.63D-03
 NORM(A)=   0.10570364D+01
 Iteration Nr.   5
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  3.2902896D-02 conv= 1.00D-05.
 RLE energy=       -0.3093178207
 DE(Corr)= -0.31059868     E(CORR)=     -109.26457330     Delta=-6.02D-03
 NORM(A)=   0.10561524D+01
 Iteration Nr.   6
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  1.3022452D-02 conv= 1.00D-05.
 RLE energy=       -0.3094571524
 DE(Corr)= -0.30902176     E(CORR)=     -109.26299638     Delta= 1.58D-03
 NORM(A)=   0.10564599D+01
 Iteration Nr.   7
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  6.0541874D-04 conv= 1.00D-05.
 RLE energy=       -0.3095091671
 DE(Corr)= -0.30951323     E(CORR)=     -109.26348785     Delta=-4.91D-04
 NORM(A)=   0.10564849D+01
 Iteration Nr.   8
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  1.3522807D-04 conv= 1.00D-05.
 RLE energy=       -0.3095089473
 DE(Corr)= -0.30950904     E(CORR)=     -109.26348365     Delta= 4.19D-06
 NORM(A)=   0.10564851D+01
 Iteration Nr.   9
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  2.2211924D-05 conv= 1.00D-05.
 RLE energy=       -0.3095092674
 DE(Corr)= -0.30950925     E(CORR)=     -109.26348387     Delta=-2.14D-07
 NORM(A)=   0.10564852D+01
 Iteration Nr.  10
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=        70
 NAB=    25 NAA=    10 NBB=    10.
 Norm of the A-vectors is  5.2781681D-06 conv= 1.00D-05.
 RLE energy=       -0.3095092616
 DE(Corr)= -0.30950923     E(CORR)=     -109.26348385     Delta= 2.09D-08
 NORM(A)=   0.10564852D+01
 CI/CC converged in   10 iterations to DelEn= 2.09D-08 Conv= 1.00D-07 ErrA1= 5.28D-06 Conv= 1.00D-05
 Dominant configurations:
 ***********************
 Spin Case        I    J    A    B          Value
   ABAB           7    7    9    9      -0.104217D+00
   ABAB           6    6    8    8      -0.104217D+00
 Largest amplitude= 1.04D-01
 Time for triples=        6.26 seconds.
 T4(CCSD)= -0.12572068D-01
 T5(CCSD)=  0.58326080D-03
 CCSD(T)= -0.10927547265D+03
 Discarding MO integrals.
 Leave Link  913 at Tue Mar 26 00:01:00 2019, MaxMem=    33554432 cpu:        10.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGU) (SGG) (PIU) (PIU)
       Virtual   (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG) (PIG)
                 (PIG) (SGU) (SGU) (DLTG) (DLTG) (PIU) (PIU) (DLTU)
                 (DLTU) (SGG) (PIG) (PIG) (SGU)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues --  -15.68678 -15.68340  -1.47039  -0.77446  -0.62613
 Alpha  occ. eigenvalues --   -0.60769  -0.60769
 Alpha virt. eigenvalues --    0.17507   0.17507   0.59428   0.82050   0.87253
 Alpha virt. eigenvalues --    0.87253   0.99211   1.05079   1.05079   1.14270
 Alpha virt. eigenvalues --    1.64208   1.75775   1.75775   1.88092   1.88092
 Alpha virt. eigenvalues --    2.29822   2.29822   2.87323   2.99522   2.99522
 Alpha virt. eigenvalues --    3.28135
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                       (SGG)--O  (SGU)--O  (SGG)--O  (SGU)--O  (SGG)--O
     Eigenvalues --   -15.68678 -15.68340  -1.47039  -0.77446  -0.62613
   1 1   N  1S          0.70491   0.70543  -0.15745  -0.14251  -0.05426
   2        2S          0.01032   0.01161   0.33292   0.32662   0.09566
   3        3S         -0.00160  -0.00459   0.19434   0.42195   0.33041
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.00000
   6        4PZ        -0.00137  -0.00236  -0.21756   0.21572   0.45429
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   9        5PZ         0.00058   0.00138  -0.03632   0.11398   0.21341
  10        6D 0        0.00040   0.00121   0.02852  -0.01341  -0.02498
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.70491  -0.70543  -0.15745   0.14251  -0.05426
  16        2S          0.01032  -0.01161   0.33292  -0.32662   0.09566
  17        3S         -0.00160   0.00459   0.19434  -0.42195   0.33041
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00000   0.00000   0.00000   0.00000
  20        4PZ         0.00137  -0.00236   0.21756   0.21572  -0.45429
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
  23        5PZ        -0.00058   0.00138   0.03632   0.11398  -0.21341
  24        6D 0        0.00040  -0.00121   0.02852   0.01341  -0.02498
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
                       (PIU)--O  (PIU)--O  (PIG)--V  (PIG)--V  (SGU)--V
     Eigenvalues --    -0.60769  -0.60769   0.17507   0.17507   0.59428
   1 1   N  1S          0.00000   0.00000   0.00000   0.00000  -0.10592
   2        2S          0.00000   0.00000   0.00000   0.00000   0.16786
   3        3S          0.00000   0.00000   0.00000   0.00000   3.92943
   4        4PX         0.42635   0.00000   0.42789   0.00000   0.00000
   5        4PY         0.00000   0.42635   0.00000   0.42789   0.00000
   6        4PZ         0.00000   0.00000   0.00000   0.00000  -0.06131
   7        5PX         0.25717   0.00000   0.67648   0.00000   0.00000
   8        5PY         0.00000   0.25717   0.00000   0.67648   0.00000
   9        5PZ         0.00000   0.00000   0.00000   0.00000  -2.62842
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.05363
  11        6D+1       -0.04751   0.00000   0.01297   0.00000   0.00000
  12        6D-1        0.00000  -0.04751   0.00000   0.01297   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00000   0.00000   0.00000   0.00000   0.10592
  16        2S          0.00000   0.00000   0.00000   0.00000  -0.16786
  17        3S          0.00000   0.00000   0.00000   0.00000  -3.92943
  18        4PX         0.42635   0.00000  -0.42789   0.00000   0.00000
  19        4PY         0.00000   0.42635   0.00000  -0.42789   0.00000
  20        4PZ         0.00000   0.00000   0.00000   0.00000  -0.06131
  21        5PX         0.25717   0.00000  -0.67648   0.00000   0.00000
  22        5PY         0.00000   0.25717   0.00000  -0.67648   0.00000
  23        5PZ         0.00000   0.00000   0.00000   0.00000  -2.62842
  24        6D 0        0.00000   0.00000   0.00000   0.00000  -0.05363
  25        6D+1        0.04751   0.00000   0.01297   0.00000   0.00000
  26        6D-1        0.00000   0.04751   0.00000   0.01297   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
                       (SGG)--V  (PIU)--V  (PIU)--V  (SGG)--V  (PIG)--V
     Eigenvalues --     0.82050   0.87253   0.87253   0.99211   1.05079
   1 1   N  1S          0.02278   0.00000   0.00000  -0.03709   0.00000
   2        2S          0.30262   0.00000   0.00000   1.04132   0.00000
   3        3S         -0.00243   0.00000   0.00000  -0.93367   0.00000
   4        4PX         0.00000   0.64263   0.00000   0.00000  -0.73259
   5        4PY         0.00000   0.00000   0.64263   0.00000   0.00000
   6        4PZ        -0.46064   0.00000   0.00000   0.26873   0.00000
   7        5PX         0.00000  -0.61994   0.00000   0.00000   1.15662
   8        5PY         0.00000   0.00000  -0.61994   0.00000   0.00000
   9        5PZ         0.94525   0.00000   0.00000  -0.18137   0.00000
  10        6D 0        0.07172   0.00000   0.00000   0.06371   0.00000
  11        6D+1        0.00000  -0.10340   0.00000   0.00000  -0.06834
  12        6D-1        0.00000   0.00000  -0.10340   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.02278   0.00000   0.00000  -0.03709   0.00000
  16        2S          0.30262   0.00000   0.00000   1.04132   0.00000
  17        3S         -0.00243   0.00000   0.00000  -0.93367   0.00000
  18        4PX         0.00000   0.64263   0.00000   0.00000   0.73259
  19        4PY         0.00000   0.00000   0.64263   0.00000   0.00000
  20        4PZ         0.46064   0.00000   0.00000  -0.26873   0.00000
  21        5PX         0.00000  -0.61994   0.00000   0.00000  -1.15662
  22        5PY         0.00000   0.00000  -0.61994   0.00000   0.00000
  23        5PZ        -0.94525   0.00000   0.00000   0.18137   0.00000
  24        6D 0        0.07172   0.00000   0.00000   0.06371   0.00000
  25        6D+1        0.00000   0.10340   0.00000   0.00000  -0.06834
  26        6D-1        0.00000   0.00000   0.10340   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
                       (PIG)--V  (SGU)--V  (SGU)--V  (DLTG)--  (DLTG)--
     Eigenvalues --     1.05079   1.14270   1.64208   1.75775   1.75775
   1 1   N  1S          0.00000   0.04388  -0.00423   0.00000   0.00000
   2        2S          0.00000   0.22555  -1.44316   0.00000   0.00000
   3        3S          0.00000  -0.63148   6.08031   0.00000   0.00000
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.73259   0.00000   0.00000   0.00000   0.00000
   6        4PZ         0.00000   0.75608   0.12789   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         1.15662   0.00000   0.00000   0.00000   0.00000
   9        5PZ         0.00000  -0.19578  -2.73193   0.00000   0.00000
  10        6D 0        0.00000   0.23020   0.21621   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.06834   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.65321   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.65321
  15 2   N  1S          0.00000  -0.04388   0.00423   0.00000   0.00000
  16        2S          0.00000  -0.22555   1.44316   0.00000   0.00000
  17        3S          0.00000   0.63148  -6.08031   0.00000   0.00000
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.73259   0.00000   0.00000   0.00000   0.00000
  20        4PZ         0.00000   0.75608   0.12789   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -1.15662   0.00000   0.00000   0.00000   0.00000
  23        5PZ         0.00000  -0.19578  -2.73193   0.00000   0.00000
  24        6D 0        0.00000  -0.23020  -0.21621   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.06834   0.00000   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.65321   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.65321
                          21        22        23        24        25
                       (PIU)--V  (PIU)--V  (DLTU)--  (DLTU)--  (SGG)--V
     Eigenvalues --     1.88092   1.88092   2.29822   2.29822   2.87323
   1 1   N  1S          0.00000   0.00000   0.00000   0.00000  -0.06090
   2        2S          0.00000   0.00000   0.00000   0.00000  -0.73059
   3        3S          0.00000   0.00000   0.00000   0.00000   0.32881
   4        4PX         0.00000   0.28894   0.00000   0.00000   0.00000
   5        4PY         0.28894   0.00000   0.00000   0.00000   0.00000
   6        4PZ         0.00000   0.00000   0.00000   0.00000   0.36633
   7        5PX         0.00000  -0.06879   0.00000   0.00000   0.00000
   8        5PY        -0.06879   0.00000   0.00000   0.00000   0.00000
   9        5PZ         0.00000   0.00000   0.00000   0.00000  -0.54943
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.83441
  11        6D+1        0.00000   0.59537   0.00000   0.00000   0.00000
  12        6D-1        0.59537   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.77701   0.00000
  14        6D-2        0.00000   0.00000   0.77701   0.00000   0.00000
  15 2   N  1S          0.00000   0.00000   0.00000   0.00000  -0.06090
  16        2S          0.00000   0.00000   0.00000   0.00000  -0.73059
  17        3S          0.00000   0.00000   0.00000   0.00000   0.32881
  18        4PX         0.00000   0.28894   0.00000   0.00000   0.00000
  19        4PY         0.28894   0.00000   0.00000   0.00000   0.00000
  20        4PZ         0.00000   0.00000   0.00000   0.00000  -0.36633
  21        5PX         0.00000  -0.06879   0.00000   0.00000   0.00000
  22        5PY        -0.06879   0.00000   0.00000   0.00000   0.00000
  23        5PZ         0.00000   0.00000   0.00000   0.00000   0.54943
  24        6D 0        0.00000   0.00000   0.00000   0.00000   0.83441
  25        6D+1        0.00000  -0.59537   0.00000   0.00000   0.00000
  26        6D-1       -0.59537   0.00000   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000  -0.77701   0.00000
  28        6D-2        0.00000   0.00000  -0.77701   0.00000   0.00000
                          26        27        28
                       (PIG)--V  (PIG)--V  (SGU)--V
     Eigenvalues --     2.99522   2.99522   3.28135
   1 1   N  1S          0.00000   0.00000  -0.03537
   2        2S          0.00000   0.00000   0.47896
   3        3S          0.00000   0.00000   3.21791
   4        4PX        -0.24184   0.00000   0.00000
   5        4PY         0.00000  -0.24184   0.00000
   6        4PZ         0.00000   0.00000  -1.06966
   7        5PX        -0.46300   0.00000   0.00000
   8        5PY         0.00000  -0.46300   0.00000
   9        5PZ         0.00000   0.00000  -1.63265
  10        6D 0        0.00000   0.00000   1.19994
  11        6D+1        1.10250   0.00000   0.00000
  12        6D-1        0.00000   1.10250   0.00000
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000
  15 2   N  1S          0.00000   0.00000   0.03537
  16        2S          0.00000   0.00000  -0.47896
  17        3S          0.00000   0.00000  -3.21791
  18        4PX         0.24184   0.00000   0.00000
  19        4PY         0.00000   0.24184   0.00000
  20        4PZ         0.00000   0.00000  -1.06966
  21        5PX         0.46300   0.00000   0.00000
  22        5PY         0.00000   0.46300   0.00000
  23        5PZ         0.00000   0.00000  -1.63265
  24        6D 0        0.00000   0.00000  -1.19994
  25        6D+1        1.10250   0.00000   0.00000
  26        6D-1        0.00000   1.10250   0.00000
  27        6D+2        0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000
     Alpha Density Matrix:
                           1         2         3         4         5
   1 1   N  1S          1.04257
   2        2S         -0.08869   0.22691
   3        3S         -0.11303   0.23405   0.32500
   4        4PX         0.00000   0.00000   0.00000   0.18178
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.18178
   6        4PZ        -0.02377   0.04145   0.19885   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.10964   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.10964
   9        5PZ        -0.02072   0.04558   0.11154   0.00000   0.00000
  10        6D 0       -0.00009   0.00274  -0.00837   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000  -0.02026   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000  -0.02026
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00670  -0.01197   0.01372   0.00000   0.00000
  16        2S         -0.01197   0.01328  -0.04147   0.00000   0.00000
  17        3S          0.01372  -0.04147  -0.03112   0.00000   0.00000
  18        4PX         0.00000   0.00000   0.00000   0.18178   0.00000
  19        4PY         0.00000   0.00000   0.00000   0.00000   0.18178
  20        4PZ        -0.04105   0.09942  -0.01678   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.00000   0.10964   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.00000   0.10964
  23        5PZ        -0.00982   0.02891  -0.01536   0.00000   0.00000
  24        6D 0       -0.00562   0.01148   0.00295   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.02026   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.02026
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.30025
   7        5PX         0.00000   0.06613
   8        5PY         0.00000   0.00000   0.06613
   9        5PZ         0.12944   0.00000   0.00000   0.05986
  10        6D 0       -0.02045   0.00000   0.00000  -0.00789   0.00162
  11        6D+1        0.00000  -0.01222   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000  -0.01222   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.04105   0.00000   0.00000   0.00982  -0.00562
  16        2S         -0.09942   0.00000   0.00000  -0.02891   0.01148
  17        3S          0.01678   0.00000   0.00000   0.01536   0.00295
  18        4PX         0.00000   0.10964   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00000   0.10964   0.00000   0.00000
  20        4PZ        -0.20717   0.00000   0.00000  -0.08026   0.01466
  21        5PX         0.00000   0.06613   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.06613   0.00000   0.00000
  23        5PZ        -0.08026   0.00000   0.00000  -0.03387   0.00484
  24        6D 0       -0.01466   0.00000   0.00000  -0.00484   0.00126
  25        6D+1        0.00000   0.01222   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.01222   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
  11        6D+1        0.00226
  12        6D-1        0.00000   0.00226
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00000   0.00000   0.00000   0.00000   1.04257
  16        2S          0.00000   0.00000   0.00000   0.00000  -0.08869
  17        3S          0.00000   0.00000   0.00000   0.00000  -0.11303
  18        4PX        -0.02026   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000  -0.02026   0.00000   0.00000   0.00000
  20        4PZ         0.00000   0.00000   0.00000   0.00000   0.02377
  21        5PX        -0.01222   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000  -0.01222   0.00000   0.00000   0.00000
  23        5PZ         0.00000   0.00000   0.00000   0.00000   0.02072
  24        6D 0        0.00000   0.00000   0.00000   0.00000  -0.00009
  25        6D+1       -0.00226   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000  -0.00226   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
  16        2S          0.22691
  17        3S          0.23405   0.32500
  18        4PX         0.00000   0.00000   0.18178
  19        4PY         0.00000   0.00000   0.00000   0.18178
  20        4PZ        -0.04145  -0.19885   0.00000   0.00000   0.30025
  21        5PX         0.00000   0.00000   0.10964   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.10964   0.00000
  23        5PZ        -0.04558  -0.11154   0.00000   0.00000   0.12944
  24        6D 0        0.00274  -0.00837   0.00000   0.00000   0.02045
  25        6D+1        0.00000   0.00000   0.02026   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.02026   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
  21        5PX         0.06613
  22        5PY         0.00000   0.06613
  23        5PZ         0.00000   0.00000   0.05986
  24        6D 0        0.00000   0.00000   0.00789   0.00162
  25        6D+1        0.01222   0.00000   0.00000   0.00000   0.00226
  26        6D-1        0.00000   0.01222   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28
  26        6D-1        0.00226
  27        6D+2        0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000
     Beta Density Matrix:
                           1         2         3         4         5
   1 1   N  1S          1.04257
   2        2S         -0.08869   0.22691
   3        3S         -0.11303   0.23405   0.32500
   4        4PX         0.00000   0.00000   0.00000   0.18178
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.18178
   6        4PZ        -0.02377   0.04145   0.19885   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.10964   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.10964
   9        5PZ        -0.02072   0.04558   0.11154   0.00000   0.00000
  10        6D 0       -0.00009   0.00274  -0.00837   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000  -0.02026   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000  -0.02026
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00670  -0.01197   0.01372   0.00000   0.00000
  16        2S         -0.01197   0.01328  -0.04147   0.00000   0.00000
  17        3S          0.01372  -0.04147  -0.03112   0.00000   0.00000
  18        4PX         0.00000   0.00000   0.00000   0.18178   0.00000
  19        4PY         0.00000   0.00000   0.00000   0.00000   0.18178
  20        4PZ        -0.04105   0.09942  -0.01678   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.00000   0.10964   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.00000   0.10964
  23        5PZ        -0.00982   0.02891  -0.01536   0.00000   0.00000
  24        6D 0       -0.00562   0.01148   0.00295   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.02026   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.02026
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.30025
   7        5PX         0.00000   0.06613
   8        5PY         0.00000   0.00000   0.06613
   9        5PZ         0.12944   0.00000   0.00000   0.05986
  10        6D 0       -0.02045   0.00000   0.00000  -0.00789   0.00162
  11        6D+1        0.00000  -0.01222   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000  -0.01222   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.04105   0.00000   0.00000   0.00982  -0.00562
  16        2S         -0.09942   0.00000   0.00000  -0.02891   0.01148
  17        3S          0.01678   0.00000   0.00000   0.01536   0.00295
  18        4PX         0.00000   0.10964   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00000   0.10964   0.00000   0.00000
  20        4PZ        -0.20717   0.00000   0.00000  -0.08026   0.01466
  21        5PX         0.00000   0.06613   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.06613   0.00000   0.00000
  23        5PZ        -0.08026   0.00000   0.00000  -0.03387   0.00484
  24        6D 0       -0.01466   0.00000   0.00000  -0.00484   0.00126
  25        6D+1        0.00000   0.01222   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.01222   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
  11        6D+1        0.00226
  12        6D-1        0.00000   0.00226
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00000   0.00000   0.00000   0.00000   1.04257
  16        2S          0.00000   0.00000   0.00000   0.00000  -0.08869
  17        3S          0.00000   0.00000   0.00000   0.00000  -0.11303
  18        4PX        -0.02026   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000  -0.02026   0.00000   0.00000   0.00000
  20        4PZ         0.00000   0.00000   0.00000   0.00000   0.02377
  21        5PX        -0.01222   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000  -0.01222   0.00000   0.00000   0.00000
  23        5PZ         0.00000   0.00000   0.00000   0.00000   0.02072
  24        6D 0        0.00000   0.00000   0.00000   0.00000  -0.00009
  25        6D+1       -0.00226   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000  -0.00226   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
  16        2S          0.22691
  17        3S          0.23405   0.32500
  18        4PX         0.00000   0.00000   0.18178
  19        4PY         0.00000   0.00000   0.00000   0.18178
  20        4PZ        -0.04145  -0.19885   0.00000   0.00000   0.30025
  21        5PX         0.00000   0.00000   0.10964   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.10964   0.00000
  23        5PZ        -0.04558  -0.11154   0.00000   0.00000   0.12944
  24        6D 0        0.00274  -0.00837   0.00000   0.00000   0.02045
  25        6D+1        0.00000   0.00000   0.02026   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.02026   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
  21        5PX         0.06613
  22        5PY         0.00000   0.06613
  23        5PZ         0.00000   0.00000   0.05986
  24        6D 0        0.00000   0.00000   0.00789   0.00162
  25        6D+1        0.01222   0.00000   0.00000   0.00000   0.00226
  26        6D-1        0.00000   0.01222   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28
  26        6D-1        0.00226
  27        6D+2        0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   N  1S          2.08514
   2        2S         -0.03839   0.45382
   3        3S         -0.04108   0.37226   0.65000
   4        4PX         0.00000   0.00000   0.00000   0.36355
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.36355
   6        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.11450   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.11450
   9        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00000  -0.00059   0.00196   0.00000   0.00000
  16        2S         -0.00059   0.00598  -0.03168   0.00000   0.00000
  17        3S          0.00196  -0.03168  -0.03834   0.00000   0.00000
  18        4PX         0.00000   0.00000   0.00000   0.04442   0.00000
  19        4PY         0.00000   0.00000   0.00000   0.00000   0.04442
  20        4PZ        -0.00401   0.05861  -0.00814   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.00000   0.05383   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.00000   0.05383
  23        5PZ        -0.00264   0.03286  -0.01876   0.00000   0.00000
  24        6D 0       -0.00132   0.00786   0.00078   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.01148   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.01148
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.60050
   7        5PX         0.00000   0.13227
   8        5PY         0.00000   0.00000   0.13227
   9        5PZ         0.13517   0.00000   0.00000   0.11972
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.00324
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   N  1S         -0.00401   0.00000   0.00000  -0.00264  -0.00132
  16        2S          0.05861   0.00000   0.00000   0.03286   0.00786
  17        3S         -0.00814   0.00000   0.00000  -0.01876   0.00078
  18        4PX         0.00000   0.05383   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00000   0.05383   0.00000   0.00000
  20        4PZ         0.14086   0.00000   0.00000   0.02000   0.00843
  21        5PX         0.00000   0.08258   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.08258   0.00000   0.00000
  23        5PZ         0.02000   0.00000   0.00000  -0.00245  -0.00065
  24        6D 0        0.00843   0.00000   0.00000  -0.00065   0.00019
  25        6D+1        0.00000   0.00554   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00554   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
  11        6D+1        0.00451
  12        6D-1        0.00000   0.00451
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          0.00000   0.00000   0.00000   0.00000   2.08514
  16        2S          0.00000   0.00000   0.00000   0.00000  -0.03839
  17        3S          0.00000   0.00000   0.00000   0.00000  -0.04108
  18        4PX         0.01148   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.01148   0.00000   0.00000   0.00000
  20        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  21        5PX         0.00554   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.00554   0.00000   0.00000   0.00000
  23        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  25        6D+1        0.00196   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00196   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
  16        2S          0.45382
  17        3S          0.37226   0.65000
  18        4PX         0.00000   0.00000   0.36355
  19        4PY         0.00000   0.00000   0.00000   0.36355
  20        4PZ         0.00000   0.00000   0.00000   0.00000   0.60050
  21        5PX         0.00000   0.00000   0.11450   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.11450   0.00000
  23        5PZ         0.00000   0.00000   0.00000   0.00000   0.13517
  24        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
  21        5PX         0.13227
  22        5PY         0.00000   0.13227
  23        5PZ         0.00000   0.00000   0.11972
  24        6D 0        0.00000   0.00000   0.00000   0.00324
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00451
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28
  26        6D-1        0.00451
  27        6D+2        0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000
     Gross orbital populations:
                         Total     Alpha     Beta      Spin
   1 1   N  1S          1.99906   0.99953   0.99953   0.00000
   2        2S          0.86073   0.43036   0.43036   0.00000
   3        3S          0.88700   0.44350   0.44350   0.00000
   4        4PX         0.58779   0.29389   0.29389   0.00000
   5        4PY         0.58779   0.29389   0.29389   0.00000
   6        4PZ         0.95143   0.47571   0.47571   0.00000
   7        5PX         0.38872   0.19436   0.19436   0.00000
   8        5PY         0.38872   0.19436   0.19436   0.00000
   9        5PZ         0.28325   0.14163   0.14163   0.00000
  10        6D 0        0.01853   0.00926   0.00926   0.00000
  11        6D+1        0.02349   0.01175   0.01175   0.00000
  12        6D-1        0.02349   0.01175   0.01175   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   N  1S          1.99906   0.99953   0.99953   0.00000
  16        2S          0.86073   0.43036   0.43036   0.00000
  17        3S          0.88700   0.44350   0.44350   0.00000
  18        4PX         0.58779   0.29389   0.29389   0.00000
  19        4PY         0.58779   0.29389   0.29389   0.00000
  20        4PZ         0.95143   0.47571   0.47571   0.00000
  21        5PX         0.38872   0.19436   0.19436   0.00000
  22        5PY         0.38872   0.19436   0.19436   0.00000
  23        5PZ         0.28325   0.14163   0.14163   0.00000
  24        6D 0        0.01853   0.00926   0.00926   0.00000
  25        6D+1        0.02349   0.01175   0.01175   0.00000
  26        6D-1        0.02349   0.01175   0.01175   0.00000
  27        6D+2        0.00000   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000
          Condensed to atoms (all electrons):
               1          2
     1  N    6.227000   0.773000
     2  N    0.773000   6.227000
          Atomic-Atomic Spin Densities.
               1          2
     1  N    0.000000   0.000000
     2  N    0.000000   0.000000
 Mulliken charges and spin densities:
               1          2
     1  N    0.000000   0.000000
     2  N    0.000000   0.000000
 Sum of Mulliken charges =   0.00000   0.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  N    0.000000   0.000000
     2  N    0.000000   0.000000
 Electronic spatial extent (au):  <R**2>=             38.8425
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.1447   YY=            -10.1447   ZZ=            -11.6582
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5045   YY=              0.5045   ZZ=             -1.0090
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -8.0859 YYYY=             -8.0859 ZZZZ=            -30.4873 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -2.6953 XXZZ=             -5.9874 YYZZ=             -5.9874
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 2.359835887100D+01 E-N=-3.028994379292D+02  KE= 1.087078528021D+02
 Symmetry AG   KE= 5.336840656130D+01
 Symmetry B1G  KE= 1.359353751919D-34
 Symmetry B2G  KE= 4.505998303399D-32
 Symmetry B3G  KE= 3.357108814627D-32
 Symmetry AU   KE= 5.143813119983D-34
 Symmetry B1U  KE= 4.886833426907D+01
 Symmetry B2U  KE= 3.235555985858D+00
 Symmetry B3U  KE= 3.235555985858D+00
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1 (SGG)--O                -15.686785         22.117202
   2 (SGU)--O                -15.683404         22.146064
   3 (SGG)--O                 -1.470388          2.542075
   4 (SGU)--O                 -0.774458          2.288103
   5 (SGG)--O                 -0.626131          2.024926
   6 (PIU)--O                 -0.607687          1.617778
   7 (PIU)--O                 -0.607687          1.617778
   8 (PIG)--V                  0.175068          1.770542
   9 (PIG)--V                  0.175068          1.770542
  10 (SGU)--V                  0.594281          1.531487
  11 (SGG)--V                  0.820497          1.736233
  12 (PIU)--V                  0.872530          2.484362
  13 (PIU)--V                  0.872530          2.484362
  14 (SGG)--V                  0.992112          2.822027
  15 (PIG)--V                  1.050787          3.075868
  16 (PIG)--V                  1.050787          3.075868
  17 (SGU)--V                  1.142702          3.812122
  18 (SGU)--V                  1.642082          3.474745
  19 (DLTG)--V                 1.757754          2.648502
  20 (DLTG)--V                 1.757754          2.648502
  21 (PIU)--V                  1.880920          3.088124
  22 (PIU)--V                  1.880920          3.088124
  23 (DLTU)--V                 2.298223          3.158054
  24 (DLTU)--V                 2.298223          3.158054
  25 (SGG)--V                  2.873235          4.100948
  26 (PIG)--V                  2.995224          4.024167
  27 (PIG)--V                  2.995224          4.024167
  28 (SGU)--V                  3.281351          6.231394
 Total kinetic energy from orbitals= 1.087078528021D+02
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  N(14)              0.00000       0.00000       0.00000       0.00000
     2  N(14)              0.00000       0.00000       0.00000       0.00000
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
     2   Atom        0.000000      0.000000      0.000000
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
     2   Atom        0.000000      0.000000      0.000000
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa     0.0000     0.000     0.000     0.000  1.0000  0.0000  0.0000
     1 N(14)  Bbb     0.0000     0.000     0.000     0.000  0.0000  1.0000  0.0000
              Bcc     0.0000     0.000     0.000     0.000  0.0000  0.0000  1.0000
 
              Baa     0.0000     0.000     0.000     0.000  1.0000  0.0000  0.0000
     2 N(14)  Bbb     0.0000     0.000     0.000     0.000  0.0000  1.0000  0.0000
              Bcc     0.0000     0.000     0.000     0.000  0.0000  0.0000  1.0000
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Mar 26 00:01:00 2019, MaxMem=    33554432 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
 1\1\GINC-COMPUTE-40-0\SP\ROCCSD(T)-FC\CC-pVDZ\N2\LOOS\26-Mar-2019\0\\#
 p ROCCSD(T) cc-pVDZ pop=full gfprint\\G2\\0,1\N\N,1,1.0987918\\Version
 =ES64L-G09RevD.01\State=1-SGG\HF=-108.9539746\MP2=-109.2606008\MP3=-10
 9.2560382\PUHF=-108.9539746\PMP2-0=-109.2606008\MP4SDQ=-109.2648157\CC
 SD=-109.2634838\CCSD(T)=-109.2754727\RMSD=6.105e-09\PG=D*H [C*(N1.N1)]
 \\@


 A true friend is someone who is there for
 you when he'd rather be anywhere else.
                               -- Len Wein
 Job cpu time:       0 days  0 hours  0 minutes 11.4 seconds.
 File lengths (MBytes):  RWF=     54 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Tue Mar 26 00:01:00 2019.