 Default is to use a total of   4 processors:
                                4 via shared-memory
                                1 via Linda
 Entering Link 1 = d:\study\G09W\l1.exe PID=      7512.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, 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
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 and (c) of the Commercial Computer Software - Restricted
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
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 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
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 09, Revision A.02,
 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, 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, 2009.
 
 ******************************************
 Gaussian 09:  IA32W-G09RevA.02 11-Jun-2009
                03-Feb-2014 
 ******************************************
 %chk=c:\gtest\CH3NH2.chk
 ---------------------
 #p b3lyp/6-31G* polar
 ---------------------
 1/38=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5,98=1/2;
 8/6=4,10=90,11=11/1;
 10/6=1,13=10/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 Leave Link    1 at Mon Feb 03 18:31:35 2014, MaxMem=          0 cpu:       1.0
 (Enter d:\study\G09W\l101.exe)
 ----
 test
 ----
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                     0.05154   0.70379   0. 
 H                     0.59336   1.06457   0.88042 
 H                     0.59336   1.06457  -0.88042 
 H                    -0.9419    1.1843    0. 
 N                     0.05154  -0.76117   0. 
 H                    -0.45745  -1.10399   0.81143 
 H                    -0.45745  -1.10399  -0.81143 
 
 NAtoms=      7 NQM=      7 NQMF=      0 NMic=      0 NMicF=      0 NTot=      7.
                    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
 IAtWgt=          12           1           1           1          14           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  14.0030740   1.0078250   1.0078250
 NucSpn=           0           1           1           1           2           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.4037610   2.7928460   2.7928460
 Leave Link  101 at Mon Feb 03 18:31:35 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.051543    0.703790    0.000000
      2          1           0        0.593361    1.064566    0.880420
      3          1           0        0.593361    1.064566   -0.880420
      4          1           0       -0.941895    1.184298    0.000000
      5          7           0        0.051543   -0.761171    0.000000
      6          1           0       -0.457445   -1.103987    0.811430
      7          1           0       -0.457445   -1.103987   -0.811430
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.094927   0.000000
     3  H    1.094927   1.760840   0.000000
     4  H    1.103543   1.773834   1.773834   0.000000
     5  N    1.464961   2.098100   2.098100   2.184438   0.000000
     6  H    2.045860   2.410721   2.944346   2.475754   1.017355
     7  H    2.045860   2.944346   2.410721   2.475754   1.017355
                    6          7
     6  H    0.000000
     7  H    1.622860   0.000000
 Stoichiometry    CH5N
 Framework group  CS[SG(CHN),X(H4)]
 Deg. of freedom     9
 Full point group                 CS      NOp   2
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.051543    0.703790    0.000000
      2          1           0        0.593361    1.064566    0.880420
      3          1           0        0.593361    1.064566   -0.880420
      4          1           0       -0.941895    1.184298    0.000000
      5          7           0        0.051543   -0.761171    0.000000
      6          1           0       -0.457445   -1.103987    0.811430
      7          1           0       -0.457445   -1.103987   -0.811430
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    103.0096890     22.7106369     21.8533420
 Leave Link  202 at Mon Feb 03 18:31:35 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    28 symmetry adapted basis functions of A'  symmetry.
 There are    12 symmetry adapted basis functions of A"  symmetry.
 Integral buffers will be    262144 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
    40 basis functions,    76 primitive gaussians,    40 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy        41.9100863279 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0
 NAtoms=    7 NActive=    7 NUniq=    5 SFac= 1.47D+00 NAtFMM=   80 NAOKFM=F Big=F
 Leave Link  301 at Mon Feb 03 18:31:35 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\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=    40 RedAO= T  NBF=    28    12
 NBsUse=    40 1.00D-06 NBFU=    28    12
 Precomputing XC quadrature grid using
 IXCGrd= 2 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-10.
 NRdTot=     431 NPtTot=       54596 NUsed=       56619 NTot=       56635
 NSgBfM=    40    40    40    40    40 NAtAll=     7     7.
 Leave Link  302 at Mon Feb 03 18:31:35 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Feb 03 18:31:35 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l401.exe)
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Petite list used in FoFCou.
 Harris En= -95.9033361642828    
 Initial guess orbital symmetries:
       Occupied  (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')
 The electronic state of the initial guess is 1-A'.
 Leave Link  401 at Mon Feb 03 18:31:35 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l502.exe)
 Closed shell SCF:
 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.
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
        56550 words used for storage of precomputed grid.
 Keep R1 ints in memory in canonical form, NReq=1272713.
 IEnd=       80011 IEndB=       80011 NGot=   196608000 MDV=   196209632
 LenX=   196209632 LenY=   196207591
 Symmetry not used in FoFDir.
 MinBra= 0 MaxBra= 2 Meth= 1.
 IRaf=       0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0.
 Integral accuracy reduced to 1.0D-05 until final iterations.

 Cycle   1  Pass 0  IDiag  1:
 E= -95.7414277462623    
 DIIS: error= 5.78D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -95.7414277462623     IErMin= 1 ErrMin= 5.78D-02
 ErrMax= 5.78D-02 EMaxC= 1.00D-01 BMatC= 1.11D-01 BMatP= 1.11D-01
 IDIUse=3 WtCom= 4.22D-01 WtEn= 5.78D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.223 Goal=   None    Shift=    0.000
 GapD=    0.223 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.75D-02 MaxDP=1.72D-01              OVMax= 1.75D-01

 Cycle   2  Pass 0  IDiag  1:
 E= -95.7873269600365     Delta-E=       -0.045899213774 Rises=F Damp=T
 DIIS: error= 9.29D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -95.7873269600365     IErMin= 2 ErrMin= 9.29D-03
 ErrMax= 9.29D-03 EMaxC= 1.00D-01 BMatC= 5.35D-03 BMatP= 1.11D-01
 IDIUse=3 WtCom= 9.07D-01 WtEn= 9.29D-02
 Coeff-Com:  0.129D+00 0.871D+00
 Coeff-En:   0.200D+00 0.800D+00
 Coeff:      0.136D+00 0.864D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=2.39D-03 MaxDP=1.82D-02 DE=-4.59D-02 OVMax= 1.08D-01

 Cycle   3  Pass 0  IDiag  1:
 E= -95.8525774101488     Delta-E=       -0.065250450112 Rises=F Damp=F
 DIIS: error= 3.75D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -95.8525774101488     IErMin= 3 ErrMin= 3.75D-03
 ErrMax= 3.75D-03 EMaxC= 1.00D-01 BMatC= 6.83D-04 BMatP= 5.35D-03
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.75D-02
 Coeff-Com:  0.329D-01 0.239D+00 0.728D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.316D-01 0.230D+00 0.738D+00
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=7.77D-04 MaxDP=9.11D-03 DE=-6.53D-02 OVMax= 1.03D-02

 Cycle   4  Pass 0  IDiag  1:
 E= -95.8529658937475     Delta-E=       -0.000388483599 Rises=F Damp=F
 DIIS: error= 2.56D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -95.8529658937475     IErMin= 4 ErrMin= 2.56D-03
 ErrMax= 2.56D-03 EMaxC= 1.00D-01 BMatC= 2.67D-04 BMatP= 6.83D-04
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.56D-02
 Coeff-Com:  0.809D-02 0.378D-01 0.384D+00 0.570D+00
 Coeff-En:   0.000D+00 0.000D+00 0.264D+00 0.736D+00
 Coeff:      0.788D-02 0.369D-01 0.381D+00 0.575D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 RMSDP=3.17D-04 MaxDP=3.45D-03 DE=-3.88D-04 OVMax= 4.43D-03

 Cycle   5  Pass 0  IDiag  1:
 E= -95.8531952261514     Delta-E=       -0.000229332404 Rises=F Damp=F
 DIIS: error= 3.52D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -95.8531952261514     IErMin= 5 ErrMin= 3.52D-04
 ErrMax= 3.52D-04 EMaxC= 1.00D-01 BMatC= 4.91D-06 BMatP= 2.67D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.52D-03
 Coeff-Com:  0.131D-02-0.433D-02 0.763D-01 0.187D+00 0.740D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.130D-02-0.431D-02 0.760D-01 0.186D+00 0.741D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=4.18D-05 MaxDP=3.67D-04 DE=-2.29D-04 OVMax= 5.37D-04

 Cycle   6  Pass 0  IDiag  1:
 E= -95.8531994986835     Delta-E=       -0.000004272532 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -95.8531994986835     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05 EMaxC= 1.00D-01 BMatC= 7.40D-09 BMatP= 4.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-03-0.604D-03 0.385D-02 0.964D-02 0.521D-01 0.935D+00
 Coeff:      0.206D-03-0.604D-03 0.385D-02 0.964D-02 0.521D-01 0.935D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=3.76D-06 MaxDP=2.82D-05 DE=-4.27D-06 OVMax= 4.79D-05

 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 Cycle   7  Pass 1  IDiag  1:
 E= -95.8532034435799     Delta-E=       -0.000003944896 Rises=F Damp=F
 DIIS: error= 3.86D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -95.8532034435799     IErMin= 1 ErrMin= 3.86D-06
 ErrMax= 3.86D-06 EMaxC= 1.00D-01 BMatC= 1.05D-09 BMatP= 1.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=3.76D-06 MaxDP=2.82D-05 DE=-3.94D-06 OVMax= 1.94D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -95.8532034449231     Delta-E=       -0.000000001343 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -95.8532034449231     IErMin= 2 ErrMin= 2.43D-06
 ErrMax= 2.43D-06 EMaxC= 1.00D-01 BMatC= 1.97D-10 BMatP= 1.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D+00 0.770D+00
 Coeff:      0.230D+00 0.770D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=5.24D-07 MaxDP=4.86D-06 DE=-1.34D-09 OVMax= 6.85D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -95.8532034450308     Delta-E=       -0.000000000108 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -95.8532034450308     IErMin= 3 ErrMin= 1.62D-06
 ErrMax= 1.62D-06 EMaxC= 1.00D-01 BMatC= 1.05D-10 BMatP= 1.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-01 0.420D+00 0.559D+00
 Coeff:      0.210D-01 0.420D+00 0.559D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=1.91D-07 MaxDP=2.21D-06 DE=-1.08D-10 OVMax= 2.45D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -95.8532034451216     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 1.94D-07 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -95.8532034451216     IErMin= 4 ErrMin= 1.94D-07
 ErrMax= 1.94D-07 EMaxC= 1.00D-01 BMatC= 2.00D-12 BMatP= 1.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-01 0.102D+00 0.190D+00 0.718D+00
 Coeff:     -0.100D-01 0.102D+00 0.190D+00 0.718D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=3.42D-08 MaxDP=4.04D-07 DE=-9.07D-11 OVMax= 3.63D-07

 Cycle  11  Pass 1  IDiag  1:
 E= -95.8532034451234     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 8.01D-08 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -95.8532034451234     IErMin= 5 ErrMin= 8.01D-08
 ErrMax= 8.01D-08 EMaxC= 1.00D-01 BMatC= 2.54D-13 BMatP= 2.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.479D-02 0.382D-01 0.758D-01 0.366D+00 0.525D+00
 Coeff:     -0.479D-02 0.382D-01 0.758D-01 0.366D+00 0.525D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=1.27D-08 MaxDP=1.18D-07 DE=-1.79D-12 OVMax= 1.43D-07

 Cycle  12  Pass 1  IDiag  1:
 E= -95.8532034451233     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 7.39D-09 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 5 EnMin= -95.8532034451234     IErMin= 6 ErrMin= 7.39D-09
 ErrMax= 7.39D-09 EMaxC= 1.00D-01 BMatC= 3.52D-15 BMatP= 2.54D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.546D-03 0.207D-02 0.488D-02 0.355D-01 0.130D+00 0.828D+00
 Coeff:     -0.546D-03 0.207D-02 0.488D-02 0.355D-01 0.130D+00 0.828D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=2.31D-09 MaxDP=1.93D-08 DE= 2.84D-14 OVMax= 2.30D-08

 SCF Done:  E(RB3LYP) =  -95.8532034451     A.U. after   12 cycles
             Convg  =    0.2312D-08             -V/T =  2.0098
 KE= 9.492297823750D+01 PE=-3.063161792704D+02 EE= 7.362991125994D+01
 Leave Link  502 at Mon Feb 03 18:31:36 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l801.exe)
 Range of M.O.s used for correlation:     1    40
 NBasis=    40 NAE=     9 NBE=     9 NFC=     0 NFV=     0
 NROrb=     40 NOA=     9 NOB=     9 NVA=    31 NVB=    31
 Leave Link  801 at Mon Feb 03 18:31:36 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
          MDV=     196607954 using IRadAn=       2.
 Generate precomputed XC quadrature information.
          Keep R1 ints in memory in canonical form, NReq=1157899.
 Symmetry not used in FoFDir.
 MinBra= 0 MaxBra= 2 Meth= 1.
 IRaf=       0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0.
          Solving linear equations simultaneously, MaxMat=       0.
          There are     3 degrees of freedom in the 1st order CPHF.  IDoFFX=0.
      3 vectors produced by pass  0 Test12= 9.30D-15 3.33D-08 XBig12= 1.08D+01 1.73D+00.
 AX will form     3 AO Fock derivatives at one time.
      3 vectors produced by pass  1 Test12= 9.30D-15 3.33D-08 XBig12= 6.19D-01 2.67D-01.
      3 vectors produced by pass  2 Test12= 9.30D-15 3.33D-08 XBig12= 1.06D-01 1.11D-01.
      3 vectors produced by pass  3 Test12= 9.30D-15 3.33D-08 XBig12= 3.85D-03 2.05D-02.
      3 vectors produced by pass  4 Test12= 9.30D-15 3.33D-08 XBig12= 8.75D-05 4.00D-03.
      3 vectors produced by pass  5 Test12= 9.30D-15 3.33D-08 XBig12= 1.32D-06 4.27D-04.
      3 vectors produced by pass  6 Test12= 9.30D-15 3.33D-08 XBig12= 4.50D-08 9.62D-05.
      3 vectors produced by pass  7 Test12= 9.30D-15 3.33D-08 XBig12= 1.83D-10 5.39D-06.
      2 vectors produced by pass  8 Test12= 9.30D-15 3.33D-08 XBig12= 3.98D-13 1.99D-07.
 Inverted reduced A of dimension    26 with in-core refinement.
 FullF1:  Do perturbations    1 to     3.
 SCF Polarizability for W=    0.000000:
                1             2             3 
      1  0.166842D+02
      2  0.103918D+01  0.209588D+02
      3  0.000000D+00  0.000000D+00  0.194172D+02
 Isotropic polarizability for W=    0.000000       19.02 Bohr**3.
 SCF Static Hyperpolarizability:
 K=  1 block:
                1 
      1 -0.250975D+02
 K=  2 block:
                1             2 
      1  0.222011D+02
      2 -0.247218D+02  0.436422D+02
 K=  3 block:
                1             2             3 
      1  0.000000D+00
      2  0.000000D+00  0.000000D+00
      3  0.274202D+01 -0.467371D+01  0.000000D+00
 End of Minotr Frequency-dependent properties file   721 does not exist.
 End of Minotr Frequency-dependent properties file   722 does not exist.
 Leave Link 1002 at Mon Feb 03 18:31:38 2014, MaxMem=  196608000 cpu:       1.0
 (Enter d:\study\G09W\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')
       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')
 The electronic state is 1-A'.
 Alpha  occ. eigenvalues --  -14.30824 -10.19788  -0.86860  -0.65493  -0.48343
 Alpha  occ. eigenvalues --   -0.43401  -0.39556  -0.36369  -0.22859
 Alpha virt. eigenvalues --    0.08484   0.14011   0.15369   0.17726   0.18433
 Alpha virt. eigenvalues --    0.23970   0.54714   0.56454   0.58963   0.73629
 Alpha virt. eigenvalues --    0.74519   0.79821   0.86125   0.91418   0.92438
 Alpha virt. eigenvalues --    0.92671   0.96905   1.06135   1.38582   1.52468
 Alpha virt. eigenvalues --    1.55433   1.88276   2.02994   2.06408   2.17136
 Alpha virt. eigenvalues --    2.31757   2.36448   2.44843   2.65623   3.76035
 Alpha virt. eigenvalues --    4.24337
          Condensed to atoms (all electrons):
              1          2          3          4          5          6
     1  C    4.918838   0.385764   0.385764   0.370020   0.329165  -0.040051
     2  H    0.385764   0.568966  -0.027217  -0.043809  -0.038900  -0.003675
     3  H    0.385764  -0.027217   0.568966  -0.043809  -0.038900   0.006009
     4  H    0.370020  -0.043809  -0.043809   0.651932  -0.045963  -0.004412
     5  N    0.329165  -0.038900  -0.038900  -0.045963   6.868777   0.315793
     6  H   -0.040051  -0.003675   0.006009  -0.004412   0.315793   0.466775
     7  H   -0.040051   0.006009  -0.003675  -0.004412   0.315793  -0.034957
              7
     1  C   -0.040051
     2  H    0.006009
     3  H   -0.003675
     4  H   -0.004412
     5  N    0.315793
     6  H   -0.034957
     7  H    0.466775
 Mulliken atomic charges:
              1
     1  C   -0.309449
     2  H    0.152863
     3  H    0.152863
     4  H    0.120451
     5  N   -0.705764
     6  H    0.294518
     7  H    0.294518
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  C    0.116729
     5  N   -0.116729
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Electronic spatial extent (au):  <R**2>=             95.1035
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.4287    Y=              0.3413    Z=              0.0000  Tot=              1.4689
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -14.6801   YY=            -14.0654   ZZ=            -12.4941
   XY=              2.2457   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.9335   YY=             -0.3189   ZZ=              1.2524
   XY=              2.2457   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -1.4340  YYY=             -2.3307  ZZZ=              0.0000  XYY=             -2.4185
  XXY=              0.0091  XXZ=              0.0000  XZZ=             -0.5405  YZZ=             -1.8879
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -23.4692 YYYY=            -74.6971 ZZZZ=            -22.8515 XXXY=             -0.9291
 XXXZ=              0.0000 YYYX=              1.4620 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=            -16.4474 XXZZ=             -7.3551 YYZZ=            -14.4855
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              1.1162
 N-N= 4.191008632788D+01 E-N=-3.063161796830D+02  KE= 9.492297823750D+01
 Symmetry A'   KE= 9.027348732020D+01
 Symmetry A"   KE= 4.649490917300D+00
  Exact polarizability:  16.684   1.039  20.959   0.000   0.000  19.417
 Approx polarizability:  20.840   0.890  24.764   0.000   0.000  24.852
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Feb 03 18:31:38 2014, MaxMem=  196608000 cpu:       0.0
 (Enter d:\study\G09W\l9999.exe)
 1|1|UNPC-X500|SP|RB3LYP|6-31G(d)|C1H5N1|SOBEREVA|03-Feb-2014|0||#p b3l
 yp/6-31G* polar||test||0,1|C,0,0.051543,0.70379,0.|H,0,0.593361,1.0645
 66,0.88042|H,0,0.593361,1.064566,-0.88042|H,0,-0.941895,1.184298,0.|N,
 0,0.051543,-0.761171,0.|H,0,-0.457445,-1.103987,0.81143|H,0,-0.457445,
 -1.103987,-0.81143||Version=IA32W-G09RevA.02|State=1-A'|HF=-95.8532034
 |RMSD=2.312e-009|Dipole=-0.5620838,0.1342732,0.|Polar=16.6842421,1.039
 1845,20.9588064,0.,0.,19.4172154|HyperPolar=-25.097458,22.2011426,-24.
 7217827,43.6422433,0.,0.,0.,2.7420222,-4.6737051,0.|Quadrupole=-0.6940
 605,-0.2370825,0.9311429,1.6696572,0.,0.|PG=CS [SG(C1H1N1),X(H4)]||@


 SEE YOU NOW,
 YOUR BAIT OF FALSEHOOD TAKES THIS CARP OF TRUTH.
 AND THUS DO WE OF WISDOM AND OF REACH...
 BY INDIRECTIONS FIND DIRECTIONS OUT.    -- HAMLET, II, 1
 Job cpu time:  0 days  0 hours  0 minutes  4.0 seconds.
 File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      7 Scr=      1
 Normal termination of Gaussian 09 at Mon Feb 03 18:31:38 2014.
