Entering Gaussian System, Link 0=g09
 Initial command:
 /usr/local/gaussian/g09/l1.exe "/scratch/51394.1.multiway.q/Gau-76740.inp" -scrdir="/scratch/51394.1.multiway.q/"
 Entering Link 1 = /usr/local/gaussian/g09/l1.exe PID=     76741.
  
 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:  EM64L-G09RevD.01 24-Apr-2013
                30-Aug-2017 
 ******************************************
 ------------------------
 #p B3LYP/6-31G* opt freq
 ------------------------
 1/14=-1,18=20,19=15,26=3,38=1/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/14=-1,18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 Leave Link    1 at Wed Aug 30 14:09:47 2017, MaxMem=           0 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l101.exe)
 --------
 opt freq
 --------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -1.28761   1.08905   0. 
 H                    -0.93095   0.08024   0. 
 H                    -0.93093   1.59345   0.87365 
 H                    -2.35761   1.08906   0. 
 C                    -0.77426   1.81501  -1.2574 
 H                    -1.13251   2.82325  -1.25838 
 H                     0.29574   1.81669  -1.25643 
 H                    -1.12934   1.30948  -2.13106 
 
 NAtoms=      8 NQM=        8 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8
 IAtWgt=          12           1           1           1          12           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           1           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Wed Aug 30 14:09:47 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.07           estimate D2E/DX2                !
 ! R2    R(1,3)                  1.07           estimate D2E/DX2                !
 ! R3    R(1,4)                  1.07           estimate D2E/DX2                !
 ! R4    R(1,5)                  1.54           estimate D2E/DX2                !
 ! R5    R(5,6)                  1.07           estimate D2E/DX2                !
 ! R6    R(5,7)                  1.07           estimate D2E/DX2                !
 ! R7    R(5,8)                  1.07           estimate D2E/DX2                !
 ! A1    A(2,1,3)              109.471          estimate D2E/DX2                !
 ! A2    A(2,1,4)              109.4713         estimate D2E/DX2                !
 ! A3    A(2,1,5)              109.4711         estimate D2E/DX2                !
 ! A4    A(3,1,4)              109.4717         estimate D2E/DX2                !
 ! A5    A(3,1,5)              109.4706         estimate D2E/DX2                !
 ! A6    A(4,1,5)              109.4716         estimate D2E/DX2                !
 ! A7    A(1,5,6)              109.4713         estimate D2E/DX2                !
 ! A8    A(1,5,7)              109.4718         estimate D2E/DX2                !
 ! A9    A(1,5,8)              109.4709         estimate D2E/DX2                !
 ! A10   A(6,5,7)              109.4713         estimate D2E/DX2                !
 ! A11   A(6,5,8)              109.471          estimate D2E/DX2                !
 ! A12   A(7,5,8)              109.4709         estimate D2E/DX2                !
 ! D1    D(2,1,5,6)            179.8891         estimate D2E/DX2                !
 ! D2    D(2,1,5,7)            -60.1104         estimate D2E/DX2                !
 ! D3    D(2,1,5,8)             59.8895         estimate D2E/DX2                !
 ! D4    D(3,1,5,6)            -60.1116         estimate D2E/DX2                !
 ! D5    D(3,1,5,7)             59.8889         estimate D2E/DX2                !
 ! D6    D(3,1,5,8)            179.8887         estimate D2E/DX2                !
 ! D7    D(4,1,5,6)             59.8888         estimate D2E/DX2                !
 ! D8    D(4,1,5,7)            179.8893         estimate D2E/DX2                !
 ! D9    D(4,1,5,8)            -60.1108         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
 Number of steps in this run=     38 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Aug 30 14:09:47 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.287610    1.089050    0.000000
      2          1           0       -0.930950    0.080240    0.000000
      3          1           0       -0.930930    1.593450    0.873650
      4          1           0       -2.357610    1.089060    0.000000
      5          6           0       -0.774260    1.815010   -1.257400
      6          1           0       -1.132510    2.823250   -1.258380
      7          1           0        0.295740    1.816690   -1.256430
      8          1           0       -1.129340    1.309480   -2.131060
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.070002   0.000000
     3  H    1.070002   1.747303   0.000000
     4  H    1.070000   1.747306   1.747309   0.000000
     5  C    1.540000   2.148263   2.148257   2.148268   0.000000
     6  H    2.148261   3.024607   2.469533   2.468158   1.069996
     7  H    2.148272   2.469543   2.468156   3.024620   1.070002
     8  H    2.148268   2.468158   3.024614   2.469544   1.070011
                    6          7          8
     6  H    0.000000
     7  H    1.747302   0.000000
     8  H    1.747307   1.747310   0.000000
 This structure is nearly, but not quite of a higher symmetry.
 Consider Symm=Loose if the higher symmetry is desired.
 Stoichiometry    C2H6
 Framework group  C1[X(C2H6)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.746629    0.013229    0.187809
      2          1           0        1.338190   -0.136988   -0.691050
      3          1           0        0.988256    0.960502    0.622772
      4          1           0        0.950960   -0.765432    0.892675
      5          6           0       -0.746627   -0.013228   -0.187807
      6          1           0       -1.338230    0.135059    0.691346
      7          1           0       -0.951353    0.766656   -0.891208
      8          1           0       -0.987829   -0.959802   -0.624549
 ---------------------------------------------------------------------
 Rotational constants (GHZ):     82.1228578     20.2293684     20.2293481
 Leave Link  202 at Wed Aug 30 14:09:47 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    42 symmetry adapted cartesian basis functions of A   symmetry.
 There are    42 symmetry adapted basis functions of A   symmetry.
    42 basis functions,    80 primitive gaussians,    42 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy        42.6702686819 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 IEmpDi=  4
 NAtoms=    8 NActive=    8 NUniq=    8 SFac= 1.00D+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 Wed Aug 30 14:09:48 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    42 RedAO= T EigKep=  7.98D-03  NBF=    42
 NBsUse=    42 1.00D-06 EigRej= -1.00D+00 NBFU=    42
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    42    42    42    42    42 MxSgAt=     8 MxSgA2=     8.
 Leave Link  302 at Wed Aug 30 14:09:48 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Aug 30 14:09:48 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l401.exe)
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       1 diagonalized for initial guess.
 HarFok:  IExCor=  402 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= -79.8907269674841    
 JPrj=0 DoOrth=F DoCkMO=F.
 Leave Link  401 at Wed Aug 30 14:09:48 2017, MaxMem=    33554432 cpu:         0.3
 (Enter /usr/local/gaussian/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 ints in memory in canonical form, NReq=1293450.
 IVT=       24424 IEndB=       24424 NGot=    33554432 MDV=    33121853
 LenX=    33121853 LenY=    33119648
 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=    903 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Integral accuracy reduced to 1.0D-05 until final iterations.

 Cycle   1  Pass 0  IDiag  1:
 E= -79.6937300242552    
 DIIS: error= 6.46D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.6937300242552     IErMin= 1 ErrMin= 6.46D-02
 ErrMax= 6.46D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-01 BMatP= 1.20D-01
 IDIUse=3 WtCom= 3.54D-01 WtEn= 6.46D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 GapD=    0.385 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.66D-02 MaxDP=1.44D-01              OVMax= 1.86D-01

 Cycle   2  Pass 0  IDiag  1:
 E= -79.7549769577700     Delta-E=       -0.061246933515 Rises=F Damp=T
 DIIS: error= 1.13D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -79.7549769577700     IErMin= 2 ErrMin= 1.13D-02
 ErrMax= 1.13D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-03 BMatP= 1.20D-01
 IDIUse=3 WtCom= 8.87D-01 WtEn= 1.13D-01
 Coeff-Com:  0.678D-01 0.932D+00
 Coeff-En:   0.990D-01 0.901D+00
 Coeff:      0.713D-01 0.929D+00
 Gap=     0.459 Goal=   None    Shift=    0.000
 RMSDP=1.78D-03 MaxDP=1.29D-02 DE=-6.12D-02 OVMax= 9.48D-02

 Cycle   3  Pass 0  IDiag  1:
 E= -79.8269414284886     Delta-E=       -0.071964470719 Rises=F Damp=F
 DIIS: error= 2.08D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -79.8269414284886     IErMin= 3 ErrMin= 2.08D-03
 ErrMax= 2.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-04 BMatP= 3.47D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.08D-02
 Coeff-Com:  0.582D-02 0.101D+00 0.893D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.570D-02 0.990D-01 0.895D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=2.88D-04 MaxDP=1.72D-03 DE=-7.20D-02 OVMax= 4.20D-03

 Cycle   4  Pass 0  IDiag  1:
 E= -79.8270430321269     Delta-E=       -0.000101603638 Rises=F Damp=F
 DIIS: error= 6.21D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -79.8270430321269     IErMin= 4 ErrMin= 6.21D-04
 ErrMax= 6.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.35D-06 BMatP= 1.22D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.21D-03
 Coeff-Com:  0.117D-02-0.444D-02 0.195D+00 0.808D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.117D-02-0.441D-02 0.194D+00 0.809D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=6.21D-05 MaxDP=3.27D-04 DE=-1.02D-04 OVMax= 1.00D-03

 Cycle   5  Pass 0  IDiag  1:
 E= -79.8270506750135     Delta-E=       -0.000007642887 Rises=F Damp=F
 DIIS: error= 9.13D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -79.8270506750135     IErMin= 5 ErrMin= 9.13D-06
 ErrMax= 9.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-09 BMatP= 8.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.893D-04-0.233D-03-0.914D-02-0.243D-01 0.103D+01
 Coeff:      0.893D-04-0.233D-03-0.914D-02-0.243D-01 0.103D+01
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=1.48D-05 DE=-7.64D-06 OVMax= 2.33D-05

 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 Cycle   6  Pass 1  IDiag  1:
 E= -79.8270694275562     Delta-E=       -0.000018752543 Rises=F Damp=F
 DIIS: error= 4.62D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.8270694275562     IErMin= 1 ErrMin= 4.62D-06
 ErrMax= 4.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-09 BMatP= 1.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=1.48D-05 DE=-1.88D-05 OVMax= 1.78D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -79.8270694293919     Delta-E=       -0.000000001836 Rises=F Damp=F
 DIIS: error= 6.97D-07 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -79.8270694293919     IErMin= 2 ErrMin= 6.97D-07
 ErrMax= 6.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-11 BMatP= 1.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-01 0.102D+01
 Coeff:     -0.153D-01 0.102D+01
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=2.16D-07 MaxDP=1.52D-06 DE=-1.84D-09 OVMax= 2.38D-06

 Cycle   8  Pass 1  IDiag  1:
 E= -79.8270694294041     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 6.24D-07 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -79.8270694294041     IErMin= 3 ErrMin= 6.24D-07
 ErrMax= 6.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-11 BMatP= 2.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-01 0.450D+00 0.571D+00
 Coeff:     -0.216D-01 0.450D+00 0.571D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=9.06D-08 MaxDP=8.76D-07 DE=-1.22D-11 OVMax= 1.10D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -79.8270694294178     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -79.8270694294178     IErMin= 4 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-13 BMatP= 1.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.631D-02 0.991D-01 0.225D+00 0.682D+00
 Coeff:     -0.631D-02 0.991D-01 0.225D+00 0.682D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.74D-08 MaxDP=1.60D-07 DE=-1.37D-11 OVMax= 2.23D-07

 Cycle  10  Pass 1  IDiag  1:
 E= -79.8270694294183     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 4.37D-09 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -79.8270694294183     IErMin= 5 ErrMin= 4.37D-09
 ErrMax= 4.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.88D-16 BMatP= 6.27D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-04-0.453D-02-0.406D-03 0.364D-01 0.969D+00
 Coeff:      0.114D-04-0.453D-02-0.406D-03 0.364D-01 0.969D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.27D-09 MaxDP=7.09D-09 DE=-5.26D-13 OVMax= 1.46D-08

 SCF Done:  E(RB3LYP) =  -79.8270694294     A.U. after   10 cycles
            NFock= 10  Conv=0.13D-08     -V/T= 2.0082
 KE= 7.917885152340D+01 PE=-2.693006599753D+02 EE= 6.762447034055D+01
 Leave Link  502 at Wed Aug 30 14:09:51 2017, MaxMem=    33554432 cpu:         2.5
 (Enter /usr/local/gaussian/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.16282 -10.16262  -0.75194  -0.61559  -0.43767
 Alpha  occ. eigenvalues --   -0.43766  -0.35191  -0.34644  -0.34644
 Alpha virt. eigenvalues --    0.10698   0.16637   0.17651   0.17652   0.19262
 Alpha virt. eigenvalues --    0.19262   0.23680   0.51132   0.54380   0.54381
 Alpha virt. eigenvalues --    0.62001   0.62002   0.66777   0.90392   0.90392
 Alpha virt. eigenvalues --    0.92617   0.94445   0.94445   1.01225   1.07870
 Alpha virt. eigenvalues --    1.44682   1.51648   1.51648   1.94397   2.01417
 Alpha virt. eigenvalues --    2.01419   2.31494   2.31494   2.32823   2.32824
 Alpha virt. eigenvalues --    2.59401   4.16207   4.37737
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.009682   0.387596   0.387596   0.387597   0.377962  -0.036269
     2  H    0.387596   0.567232  -0.031519  -0.031519  -0.036269   0.005159
     3  H    0.387596  -0.031519   0.567232  -0.031518  -0.036270  -0.003926
     4  H    0.387597  -0.031519  -0.031518   0.567232  -0.036269  -0.003965
     5  C    0.377962  -0.036269  -0.036270  -0.036269   5.009685   0.387597
     6  H   -0.036269   0.005159  -0.003926  -0.003965   0.387597   0.567230
     7  H   -0.036268  -0.003925  -0.003966   0.005159   0.387596  -0.031519
     8  H   -0.036269  -0.003966   0.005159  -0.003925   0.387595  -0.031519
               7          8
     1  C   -0.036268  -0.036269
     2  H   -0.003925  -0.003966
     3  H   -0.003966   0.005159
     4  H    0.005159  -0.003925
     5  C    0.387596   0.387595
     6  H   -0.031519  -0.031519
     7  H    0.567233  -0.031518
     8  H   -0.031518   0.567236
 Mulliken charges:
               1
     1  C   -0.441627
     2  H    0.147210
     3  H    0.147210
     4  H    0.147208
     5  C   -0.441628
     6  H    0.147212
     7  H    0.147208
     8  H    0.147207
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.000001
     5  C   -0.000001
 Electronic spatial extent (au):  <R**2>=            107.4438
 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=            -15.3654   YY=            -14.5052   ZZ=            -14.5594
   XY=             -0.0153   XZ=             -0.2164   YZ=             -0.0038
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5554   YY=              0.3048   ZZ=              0.2506
   XY=             -0.0153   XZ=             -0.2164   YZ=             -0.0038
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0025  ZZZ=              0.0012  XYY=              0.0003
  XXY=             -0.0001  XXZ=              0.0001  XZZ=             -0.0003  YZZ=             -0.0023
  YYZ=             -0.0012  XYZ=              0.0006
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -86.6948 YYYY=            -27.6211 ZZZZ=            -31.9339 XXXY=             -0.6340
 XXXZ=             -8.2939 YYYX=             -0.0066 YYYZ=              0.0511 ZZZX=             -7.5376
 ZZZY=             -0.4846 XXYY=            -18.6486 XXZZ=            -18.6425 YYZZ=             -9.3292
 XXYZ=              0.1285 YYXZ=             -1.3762 ZZXY=             -0.5716
 N-N= 4.267026868194D+01 E-N=-2.693006600993D+02  KE= 7.917885152340D+01
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Aug 30 14:09:51 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 Leave Link  701 at Wed Aug 30 14:09:51 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Wed Aug 30 14:09:51 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2127 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2127 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Leave Link  703 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.8
 (Enter /usr/local/gaussian/g09/l716.exe)
 Dipole        =-9.74556066D-08 2.21890436D-06 1.73950986D-06
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.008730773    0.012354151   -0.021382130
      2        1           0.003911208   -0.017319962    0.003618661
      3        1           0.003902449    0.005530541    0.016805051
      4        1          -0.017628884   -0.002091954    0.003610725
      5        6          -0.008729576   -0.012361375    0.021375276
      6        1          -0.003924245    0.017319661   -0.003625578
      7        1           0.017627719    0.002104408   -0.003602836
      8        1          -0.003889444   -0.005535469   -0.016799170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.021382130 RMS     0.011799348
 Leave Link  716 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.017637951 RMS     0.008637923
 Search for a local minimum.
 Step number   1 out of a maximum of   38
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .86379D-02 SwitMx=.10000D-02 MixMth= 1
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.00237   0.05720   0.05720   0.05720   0.05720
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.28519   0.37229   0.37230   0.37230
     Eigenvalues ---    0.37230   0.37230   0.37231
 RFO step:  Lambda=-6.24850199D-03 EMin= 2.36820238D-03
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.03434127 RMS(Int)=  0.00037330
 Iteration  2 RMS(Cart)=  0.00040208 RMS(Int)=  0.00021353
 Iteration  3 RMS(Cart)=  0.00000021 RMS(Int)=  0.00021353
 ITry= 1 IFail=0 DXMaxC= 7.20D-02 DCOld= 1.00D+10 DXMaxT= 3.00D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.02201   0.01763   0.00000   0.04658   0.04658   2.06859
    R2        2.02201   0.01763   0.00000   0.04657   0.04657   2.06858
    R3        2.02201   0.01763   0.00000   0.04657   0.04657   2.06857
    R4        2.91018   0.00325   0.00000   0.01114   0.01114   2.92132
    R5        2.02200   0.01764   0.00000   0.04659   0.04659   2.06859
    R6        2.02201   0.01763   0.00000   0.04656   0.04656   2.06858
    R7        2.02203   0.01762   0.00000   0.04655   0.04655   2.06858
    A1        1.91063  -0.00422   0.00000  -0.02538  -0.02570   1.88493
    A2        1.91064  -0.00422   0.00000  -0.02540  -0.02572   1.88491
    A3        1.91063   0.00422   0.00000   0.02539   0.02506   1.93569
    A4        1.91064  -0.00422   0.00000  -0.02538  -0.02570   1.88494
    A5        1.91062   0.00422   0.00000   0.02540   0.02507   1.93569
    A6        1.91064   0.00422   0.00000   0.02538   0.02504   1.93568
    A7        1.91063   0.00422   0.00000   0.02539   0.02505   1.93569
    A8        1.91064   0.00422   0.00000   0.02537   0.02504   1.93568
    A9        1.91063   0.00422   0.00000   0.02540   0.02507   1.93569
   A10        1.91064  -0.00422   0.00000  -0.02540  -0.02572   1.88491
   A11        1.91063  -0.00422   0.00000  -0.02538  -0.02570   1.88493
   A12        1.91063  -0.00422   0.00000  -0.02537  -0.02569   1.88494
    D1        3.13966   0.00000   0.00000   0.00057   0.00057   3.14022
    D2       -1.04912   0.00000   0.00000   0.00054   0.00054  -1.04859
    D3        1.04527   0.00000   0.00000   0.00055   0.00055   1.04582
    D4       -1.04915   0.00001   0.00000   0.00058   0.00058  -1.04856
    D5        1.04526   0.00000   0.00000   0.00055   0.00055   1.04581
    D6        3.13965   0.00001   0.00000   0.00057   0.00057   3.14022
    D7        1.04526   0.00001   0.00000   0.00059   0.00059   1.04585
    D8        3.13966   0.00000   0.00000   0.00056   0.00056   3.14022
    D9       -1.04913   0.00001   0.00000   0.00058   0.00058  -1.04855
         Item               Value     Threshold  Converged?
 Maximum Force            0.017638     0.000450     NO 
 RMS     Force            0.008638     0.000300     NO 
 Maximum Displacement     0.071972     0.001800     NO 
 RMS     Displacement     0.034489     0.001200     NO 
 Predicted change in Energy=-3.189356D-03
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.288587    1.087664    0.002409
      2          1           0       -0.936527    0.051446    0.026303
      3          1           0       -0.936975    1.585402    0.911736
      4          1           0       -2.382886    1.073707    0.026005
      5          6           0       -0.773281    1.816394   -1.259813
      6          1           0       -1.126484    2.852206   -1.284407
      7          1           0        0.321017    1.831563   -1.282711
      8          1           0       -1.123747    1.317848   -2.169142
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.094653   0.000000
     3  H    1.094646   1.771162   0.000000
     4  H    1.094642   1.771150   1.771161   0.000000
     5  C    1.545896   2.189928   2.189927   2.189919   0.000000
     6  H    2.189928   3.098112   2.542391   2.541414   1.094652
     7  H    2.189919   2.542391   2.541404   3.098093   1.094643
     8  H    2.189929   2.541417   3.098108   2.542382   1.094647
                    6          7          8
     6  H    0.000000
     7  H    1.771150   0.000000
     8  H    1.771162   1.771159   0.000000
 Stoichiometry    C2H6
 Framework group  C1[X(C2H6)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 6.98D-01
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.772948    0.000002    0.000002
      2          1           0        1.163576   -0.570449   -0.848679
      3          1           0        1.163572    1.020202   -0.069678
      4          1           0        1.163564   -0.449765    0.918355
      5          6           0       -0.772948   -0.000002   -0.000002
      6          1           0       -1.163575    0.569286    0.849459
      7          1           0       -1.163564    0.451021   -0.917738
      8          1           0       -1.163574   -1.020296    0.068279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):     79.9259361     19.6743238     19.6742840
 Leave Link  202 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    42 symmetry adapted cartesian basis functions of A   symmetry.
 There are    42 symmetry adapted basis functions of A   symmetry.
    42 basis functions,    80 primitive gaussians,    42 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy        41.9796712178 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 IEmpDi=  4
 NAtoms=    8 NActive=    8 NUniq=    8 SFac= 1.00D+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 Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    42 RedAO= T EigKep=  8.65D-03  NBF=    42
 NBsUse=    42 1.00D-06 EigRej= -1.00D+00 NBFU=    42
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    42    42    42    42    42 MxSgAt=     8 MxSgA2=     8.
 Leave Link  302 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/51394.1.multiway.q/Gau-76741.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.969076    0.213811   -0.118137    0.034931 Ang=  28.57 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       1 diagonalized for initial guess.
 HarFok:  IExCor=  402 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= -79.8810744481307    
 Leave Link  401 at Wed Aug 30 14:09:52 2017, MaxMem=    33554432 cpu:         0.3
 (Enter /usr/local/gaussian/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 ints in memory in canonical form, NReq=1293450.
 IVT=       24424 IEndB=       24424 NGot=    33554432 MDV=    33121853
 LenX=    33121853 LenY=    33119648
 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=    903 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Integral accuracy reduced to 1.0D-05 until final iterations.

 Cycle   1  Pass 0  IDiag  1:
 E= -79.8296086882859    
 DIIS: error= 3.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.8296086882859     IErMin= 1 ErrMin= 3.70D-03
 ErrMax= 3.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.77D-04 BMatP= 4.77D-04
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     2.069 Goal=   None    Shift=    0.000
 GapD=    2.069 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.28D-04 MaxDP=7.95D-03              OVMax= 9.47D-03

 Cycle   2  Pass 0  IDiag  1:
 E= -79.8299313496434     Delta-E=       -0.000322661358 Rises=F Damp=F
 DIIS: error= 3.09D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -79.8299313496434     IErMin= 2 ErrMin= 3.09D-03
 ErrMax= 3.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-04 BMatP= 4.77D-04
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.09D-02
 Coeff-Com:  0.435D+00 0.565D+00
 Coeff-En:   0.230D+00 0.770D+00
 Coeff:      0.429D+00 0.571D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=4.68D-04 MaxDP=4.20D-03 DE=-3.23D-04 OVMax= 5.37D-03

 Cycle   3  Pass 0  IDiag  1:
 E= -79.8302379839347     Delta-E=       -0.000306634291 Rises=F Damp=F
 DIIS: error= 7.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -79.8302379839347     IErMin= 3 ErrMin= 7.88D-04
 ErrMax= 7.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-05 BMatP= 3.12D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.88D-03
 Coeff-Com: -0.105D-02 0.206D+00 0.795D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.104D-02 0.204D+00 0.797D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=8.41D-05 MaxDP=9.35D-04 DE=-3.07D-04 OVMax= 1.15D-03

 Cycle   4  Pass 0  IDiag  1:
 E= -79.8302596538388     Delta-E=       -0.000021669904 Rises=F Damp=F
 DIIS: error= 4.33D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -79.8302596538388     IErMin= 4 ErrMin= 4.33D-05
 ErrMax= 4.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-08 BMatP= 2.17D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.225D-02 0.281D-01 0.111D+00 0.863D+00
 Coeff:     -0.225D-02 0.281D-01 0.111D+00 0.863D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=5.60D-06 MaxDP=3.52D-05 DE=-2.17D-05 OVMax= 8.97D-05

 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 Cycle   5  Pass 1  IDiag  1:
 E= -79.8302843929724     Delta-E=       -0.000024739134 Rises=F Damp=F
 DIIS: error= 9.58D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.8302843929724     IErMin= 1 ErrMin= 9.58D-06
 ErrMax= 9.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-09 BMatP= 1.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=5.60D-06 MaxDP=3.52D-05 DE=-2.47D-05 OVMax= 1.81D-05

 Cycle   6  Pass 1  IDiag  1:
 E= -79.8302843947761     Delta-E=       -0.000000001804 Rises=F Damp=F
 DIIS: error= 3.13D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -79.8302843947761     IErMin= 2 ErrMin= 3.13D-06
 ErrMax= 3.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-10 BMatP= 1.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D+00 0.773D+00
 Coeff:      0.227D+00 0.773D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=3.97D-07 MaxDP=2.21D-06 DE=-1.80D-09 OVMax= 5.33D-06

 Cycle   7  Pass 1  IDiag  1:
 E= -79.8302843949568     Delta-E=       -0.000000000181 Rises=F Damp=F
 DIIS: error= 9.11D-07 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -79.8302843949568     IErMin= 3 ErrMin= 9.11D-07
 ErrMax= 9.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-11 BMatP= 2.28D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.555D-01 0.309D+00 0.636D+00
 Coeff:      0.555D-01 0.309D+00 0.636D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=1.43D-07 MaxDP=1.42D-06 DE=-1.81D-10 OVMax= 1.75D-06

 Cycle   8  Pass 1  IDiag  1:
 E= -79.8302843949853     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 3.29D-07 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -79.8302843949853     IErMin= 4 ErrMin= 3.29D-07
 ErrMax= 3.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-12 BMatP= 3.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.584D-02 0.326D-01 0.269D+00 0.704D+00
 Coeff:     -0.584D-02 0.326D-01 0.269D+00 0.704D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=4.14D-08 MaxDP=3.45D-07 DE=-2.86D-11 OVMax= 4.56D-07

 Cycle   9  Pass 1  IDiag  1:
 E= -79.8302843949885     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 5.99D-09 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -79.8302843949885     IErMin= 5 ErrMin= 5.99D-09
 ErrMax= 5.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-15 BMatP= 3.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.399D-03-0.120D-02 0.265D-02 0.252D-01 0.974D+00
 Coeff:     -0.399D-03-0.120D-02 0.265D-02 0.252D-01 0.974D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=1.24D-09 MaxDP=8.26D-09 DE=-3.18D-12 OVMax= 1.27D-08

 SCF Done:  E(RB3LYP) =  -79.8302843950     A.U. after    9 cycles
            NFock=  9  Conv=0.12D-08     -V/T= 2.0110
 KE= 7.896458021283D+01 PE=-2.677611493511D+02 EE= 6.698661352548D+01
 Leave Link  502 at Wed Aug 30 14:09:55 2017, MaxMem=    33554432 cpu:         2.3
 (Enter /usr/local/gaussian/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 Leave Link  701 at Wed Aug 30 14:09:55 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Wed Aug 30 14:09:55 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2127 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2127 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Leave Link  703 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.7
 (Enter /usr/local/gaussian/g09/l716.exe)
 Dipole        = 4.97577944D-08 8.64531326D-08-6.58459574D-08
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.003032760    0.004295821   -0.007419367
      2        1          -0.000090759   -0.000734575    0.000586307
      3        1          -0.000095119   -0.000136436    0.000927090
      4        1          -0.000669453   -0.000345765    0.000583253
      5        6          -0.003032312   -0.004296234    0.007418517
      6        1           0.000098198    0.000737381   -0.000581705
      7        1           0.000669179    0.000338072   -0.000587488
      8        1           0.000087506    0.000141737   -0.000926609
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007419367 RMS     0.002667377
 Leave Link  716 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.006523265 RMS     0.001344281
 Search for a local minimum.
 Step number   2 out of a maximum of   38
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13443D-02 SwitMx=.10000D-02 MixMth= 1
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -3.21D-03 DEPred=-3.19D-03 R= 1.01D+00
 TightC=F SS=  1.41D+00  RLast= 1.44D-01 DXNew= 5.0454D-01 4.3342D-01
 Trust test= 1.01D+00 RLast= 1.44D-01 DXMaxT set to 4.33D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00237   0.05454   0.05454   0.05454   0.05454
     Eigenvalues ---    0.15095   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.27849   0.37229   0.37230   0.37230
     Eigenvalues ---    0.37230   0.37230   0.39162
 RFO step:  Lambda=-1.94247545D-04 EMin= 2.36820417D-03
 Quartic linear search produced a step of  0.05808.
 Iteration  1 RMS(Cart)=  0.00327601 RMS(Int)=  0.00002353
 Iteration  2 RMS(Cart)=  0.00001423 RMS(Int)=  0.00002016
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002016
 ITry= 1 IFail=0 DXMaxC= 9.72D-03 DCOld= 1.00D+10 DXMaxT= 4.33D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.06859   0.00068   0.00271   0.00074   0.00345   2.07204
    R2        2.06858   0.00068   0.00270   0.00074   0.00344   2.07202
    R3        2.06857   0.00069   0.00270   0.00077   0.00347   2.07205
    R4        2.92132  -0.00652   0.00065  -0.02446  -0.02381   2.89751
    R5        2.06859   0.00068   0.00271   0.00074   0.00345   2.07204
    R6        2.06858   0.00069   0.00270   0.00077   0.00347   2.07205
    R7        2.06858   0.00068   0.00270   0.00074   0.00344   2.07202
    A1        1.88493  -0.00068  -0.00149  -0.00392  -0.00545   1.87948
    A2        1.88491  -0.00068  -0.00149  -0.00392  -0.00544   1.87947
    A3        1.93569   0.00064   0.00146   0.00368   0.00510   1.94079
    A4        1.88494  -0.00068  -0.00149  -0.00386  -0.00538   1.87956
    A5        1.93569   0.00064   0.00146   0.00371   0.00513   1.94082
    A6        1.93568   0.00065   0.00145   0.00374   0.00516   1.94085
    A7        1.93569   0.00064   0.00145   0.00368   0.00510   1.94079
    A8        1.93568   0.00065   0.00145   0.00374   0.00516   1.94085
    A9        1.93569   0.00064   0.00146   0.00371   0.00513   1.94082
   A10        1.88491  -0.00068  -0.00149  -0.00392  -0.00544   1.87947
   A11        1.88493  -0.00068  -0.00149  -0.00392  -0.00544   1.87948
   A12        1.88494  -0.00068  -0.00149  -0.00385  -0.00538   1.87956
    D1        3.14022   0.00000   0.00003   0.00145   0.00148  -3.14148
    D2       -1.04859   0.00000   0.00003   0.00143   0.00146  -1.04713
    D3        1.04582   0.00001   0.00003   0.00150   0.00153   1.04736
    D4       -1.04856   0.00000   0.00003   0.00140   0.00144  -1.04713
    D5        1.04581   0.00000   0.00003   0.00138   0.00141   1.04722
    D6        3.14022   0.00000   0.00003   0.00145   0.00149  -3.14148
    D7        1.04585   0.00000   0.00003   0.00148   0.00151   1.04736
    D8        3.14022   0.00000   0.00003   0.00145   0.00148  -3.14148
    D9       -1.04855   0.00001   0.00003   0.00152   0.00156  -1.04700
         Item               Value     Threshold  Converged?
 Maximum Force            0.006523     0.000450     NO 
 RMS     Force            0.001344     0.000300     NO 
 Maximum Displacement     0.009718     0.001800     NO 
 RMS     Displacement     0.003281     0.001200     NO 
 Predicted change in Energy=-1.044251D-04
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.286499    1.090646   -0.002734
      2          1           0       -0.935930    0.052131    0.026447
      3          1           0       -0.937595    1.585812    0.911224
      4          1           0       -2.382480    1.073166    0.025393
      5          6           0       -0.775369    1.813411   -1.254672
      6          1           0       -1.125843    2.851960   -1.283793
      7          1           0        0.320612    1.830790   -1.282856
      8          1           0       -1.124367    1.318312   -2.168630
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.096478   0.000000
     3  H    1.096468   1.770596   0.000000
     4  H    1.096481   1.770599   1.770648   0.000000
     5  C    1.533295   2.183839   2.183855   2.183881   0.000000
     6  H    2.183839   3.097069   2.540997   2.541105   1.096478
     7  H    2.183880   2.541024   2.541080   3.097130   1.096481
     8  H    2.183855   2.541080   3.097086   2.541000   1.096468
                    6          7          8
     6  H    0.000000
     7  H    1.770599   0.000000
     8  H    1.770597   1.770648   0.000000
 Stoichiometry    C2H6
 Framework group  C1[X(C2H6)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 8.52D-01
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.766647    0.000003    0.000009
      2          1           0        1.163157    0.021292   -1.022043
      3          1           0        1.163165    0.874493    0.529427
      4          1           0        1.163201   -0.895771    0.492559
      5          6           0       -0.766647   -0.000003   -0.000009
      6          1           0       -1.163157   -0.021175    1.022046
      7          1           0       -1.163200    0.895715   -0.492660
      8          1           0       -1.163166   -0.874553   -0.529327
 ---------------------------------------------------------------------
 Rotational constants (GHZ):     79.9749704     19.8602070     19.8600210
 Leave Link  202 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    42 symmetry adapted cartesian basis functions of A   symmetry.
 There are    42 symmetry adapted basis functions of A   symmetry.
    42 basis functions,    80 primitive gaussians,    42 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy        42.0772300556 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 IEmpDi=  4
 NAtoms=    8 NActive=    8 NUniq=    8 SFac= 1.00D+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 Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    42 RedAO= T EigKep=  8.51D-03  NBF=    42
 NBsUse=    42 1.00D-06 EigRej= -1.00D+00 NBFU=    42
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    42    42    42    42    42 MxSgAt=     8 MxSgA2=     8.
 Leave Link  302 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.2
 (Enter /usr/local/gaussian/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/51394.1.multiway.q/Gau-76741.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.953565   -0.301186   -0.000005   -0.000003 Ang= -35.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Aug 30 14:09:56 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 ints in memory in canonical form, NReq=1293450.
 IVT=       24424 IEndB=       24424 NGot=    33554432 MDV=    33121853
 LenX=    33121853 LenY=    33119648
 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=    903 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -79.8303666793971    
 DIIS: error= 9.15D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.8303666793971     IErMin= 1 ErrMin= 9.15D-04
 ErrMax= 9.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-05 BMatP= 2.19D-05
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.15D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     2.114 Goal=   None    Shift=    0.000
 RMSDP=1.80D-04 MaxDP=1.48D-03              OVMax= 2.72D-03

 Cycle   2  Pass 1  IDiag  1:
 E= -79.8304092453917     Delta-E=       -0.000042565995 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -79.8304092453917     IErMin= 2 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-07 BMatP= 2.19D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.306D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.305D-01 0.103D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=2.13D-05 MaxDP=1.99D-04 DE=-4.26D-05 OVMax= 2.48D-04

 Cycle   3  Pass 1  IDiag  1:
 E= -79.8304094930206     Delta-E=       -0.000000247629 Rises=F Damp=F
 DIIS: error= 6.63D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -79.8304094930206     IErMin= 3 ErrMin= 6.63D-05
 ErrMax= 6.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-07 BMatP= 3.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-01 0.388D+00 0.629D+00
 Coeff:     -0.172D-01 0.388D+00 0.629D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=9.90D-06 MaxDP=9.20D-05 DE=-2.48D-07 OVMax= 1.18D-04

 Cycle   4  Pass 1  IDiag  1:
 E= -79.8304096062793     Delta-E=       -0.000000113259 Rises=F Damp=F
 DIIS: error= 2.02D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -79.8304096062793     IErMin= 4 ErrMin= 2.02D-05
 ErrMax= 2.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-08 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.571D-02 0.903D-01 0.290D+00 0.625D+00
 Coeff:     -0.571D-02 0.903D-01 0.290D+00 0.625D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=2.68D-06 MaxDP=2.40D-05 DE=-1.13D-07 OVMax= 3.42D-05

 Cycle   5  Pass 1  IDiag  1:
 E= -79.8304096224712     Delta-E=       -0.000000016192 Rises=F Damp=F
 DIIS: error= 1.93D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -79.8304096224712     IErMin= 5 ErrMin= 1.93D-06
 ErrMax= 1.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-10 BMatP= 1.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.471D-03 0.129D-02 0.308D-01 0.131D+00 0.838D+00
 Coeff:     -0.471D-03 0.129D-02 0.308D-01 0.131D+00 0.838D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=1.82D-06 DE=-1.62D-08 OVMax= 2.81D-06

 Cycle   6  Pass 1  IDiag  1:
 E= -79.8304096225904     Delta-E=       -0.000000000119 Rises=F Damp=F
 DIIS: error= 4.83D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -79.8304096225904     IErMin= 6 ErrMin= 4.83D-08
 ErrMax= 4.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.18D-14 BMatP= 1.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-04-0.289D-03-0.438D-03-0.259D-02 0.152D-02 0.100D+01
 Coeff:      0.161D-04-0.289D-03-0.438D-03-0.259D-02 0.152D-02 0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=9.39D-09 MaxDP=6.04D-08 DE=-1.19D-10 OVMax= 1.09D-07

 SCF Done:  E(RB3LYP) =  -79.8304096226     A.U. after    6 cycles
            NFock=  6  Conv=0.94D-08     -V/T= 2.0109
 KE= 7.896899374745D+01 PE=-2.679569372794D+02 EE= 6.708030385377D+01
 Leave Link  502 at Wed Aug 30 14:09:58 2017, MaxMem=    33554432 cpu:         1.9
 (Enter /usr/local/gaussian/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 Leave Link  701 at Wed Aug 30 14:09:58 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Wed Aug 30 14:09:58 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2127 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2127 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Leave Link  703 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.7
 (Enter /usr/local/gaussian/g09/l716.exe)
 Dipole        =-6.06876763D-08 1.42061075D-07 2.29368583D-08
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000530331    0.000713447   -0.001291674
      2        1          -0.000239377    0.000225468    0.000264958
      3        1          -0.000242773   -0.000331661   -0.000062237
      4        1           0.000296395   -0.000139837    0.000263252
      5        6          -0.000530330   -0.000713362    0.001291907
      6        1           0.000238628   -0.000225732   -0.000265477
      7        1          -0.000296295    0.000140555   -0.000262858
      8        1           0.000243421    0.000331123    0.000062128
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001291907 RMS     0.000498893
 Leave Link  716 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001009383 RMS     0.000308199
 Search for a local minimum.
 Step number   3 out of a maximum of   38
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .30820D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    1    2    3
 DE= -1.25D-04 DEPred=-1.04D-04 R= 1.20D+00
 TightC=F SS=  1.41D+00  RLast= 3.15D-02 DXNew= 7.2892D-01 9.4536D-02
 Trust test= 1.20D+00 RLast= 3.15D-02 DXMaxT set to 4.33D-01
 ITU=  1  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00237   0.05399   0.05399   0.05400   0.05400
     Eigenvalues ---    0.11808   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.28479   0.37229   0.37230   0.37230
     Eigenvalues ---    0.37230   0.37230   0.40422
 RFO step:  Lambda=-7.89195564D-06 EMin= 2.36824890D-03
 Quartic linear search produced a step of  0.21294.
 Iteration  1 RMS(Cart)=  0.00174665 RMS(Int)=  0.00000553
 Iteration  2 RMS(Cart)=  0.00000472 RMS(Int)=  0.00000397
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000397
 ITry= 1 IFail=0 DXMaxC= 3.08D-03 DCOld= 1.00D+10 DXMaxT= 4.33D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.07204  -0.00028   0.00073  -0.00113  -0.00040   2.07165
    R2        2.07202  -0.00028   0.00073  -0.00112  -0.00039   2.07164
    R3        2.07205  -0.00029   0.00074  -0.00115  -0.00041   2.07164
    R4        2.89751  -0.00101  -0.00507   0.00005  -0.00503   2.89248
    R5        2.07204  -0.00028   0.00073  -0.00113  -0.00040   2.07165
    R6        2.07205  -0.00029   0.00074  -0.00115  -0.00041   2.07164
    R7        2.07202  -0.00028   0.00073  -0.00112  -0.00039   2.07164
    A1        1.87948  -0.00032  -0.00116  -0.00164  -0.00281   1.87668
    A2        1.87947  -0.00032  -0.00116  -0.00160  -0.00277   1.87670
    A3        1.94079   0.00031   0.00109   0.00168   0.00276   1.94355
    A4        1.87956  -0.00032  -0.00115  -0.00177  -0.00293   1.87663
    A5        1.94082   0.00030   0.00109   0.00154   0.00262   1.94345
    A6        1.94085   0.00030   0.00110   0.00151   0.00260   1.94345
    A7        1.94079   0.00031   0.00109   0.00168   0.00276   1.94355
    A8        1.94085   0.00030   0.00110   0.00151   0.00260   1.94345
    A9        1.94082   0.00030   0.00109   0.00153   0.00262   1.94345
   A10        1.87947  -0.00032  -0.00116  -0.00160  -0.00277   1.87670
   A11        1.87948  -0.00032  -0.00116  -0.00164  -0.00281   1.87668
   A12        1.87956  -0.00032  -0.00114  -0.00178  -0.00293   1.87663
    D1       -3.14148   0.00000   0.00032  -0.00092  -0.00060   3.14111
    D2       -1.04713   0.00000   0.00031  -0.00080  -0.00049  -1.04762
    D3        1.04736   0.00000   0.00033  -0.00100  -0.00067   1.04668
    D4       -1.04713   0.00000   0.00031  -0.00083  -0.00053  -1.04765
    D5        1.04722   0.00001   0.00030  -0.00071  -0.00041   1.04681
    D6       -3.14148   0.00000   0.00032  -0.00091  -0.00060   3.14111
    D7        1.04736  -0.00001   0.00032  -0.00103  -0.00071   1.04665
    D8       -3.14148   0.00000   0.00032  -0.00091  -0.00060   3.14111
    D9       -1.04700  -0.00001   0.00033  -0.00111  -0.00078  -1.04778
         Item               Value     Threshold  Converged?
 Maximum Force            0.001009     0.000450     NO 
 RMS     Force            0.000308     0.000300     NO 
 Maximum Displacement     0.003081     0.001800     NO 
 RMS     Displacement     0.001746     0.001200     NO 
 Predicted change in Energy=-8.130350D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.286032    1.091231   -0.003834
      2          1           0       -0.937193    0.052425    0.027749
      3          1           0       -0.938399    1.584182    0.911558
      4          1           0       -2.381705    1.072643    0.026980
      5          6           0       -0.775835    1.812827   -1.253571
      6          1           0       -1.125078    2.851489   -1.285402
      7          1           0        0.319837    1.831843   -1.284138
      8          1           0       -1.123065    1.319590   -2.168962
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.096268   0.000000
     3  H    1.096263   1.768445   0.000000
     4  H    1.096263   1.768462   1.768412   0.000000
     5  C    1.530635   2.183308   2.183229   2.183232   0.000000
     6  H    2.183308   3.097487   2.543137   2.542784   1.096268
     7  H    2.183232   2.543128   2.542749   3.097376   1.096263
     8  H    2.183229   2.542793   3.097372   2.543093   1.096263
                    6          7          8
     6  H    0.000000
     7  H    1.768462   0.000000
     8  H    1.768445   1.768412   0.000000
 Stoichiometry    C2H6
 Framework group  C1[X(C2H6)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.80D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.765318    0.000004   -0.000003
      2          1           0        1.164553    1.005505   -0.177152
      3          1           0        1.164455   -0.349371    0.959382
      4          1           0        1.164453   -0.656233   -0.782203
      5          6           0       -0.765318   -0.000004    0.000003
      6          1           0       -1.164553   -1.005590    0.176665
      7          1           0       -1.164453    0.655854    0.782521
      8          1           0       -1.164455    0.349836   -0.959212
 ---------------------------------------------------------------------
 Rotational constants (GHZ):     80.1717723     19.8900279     19.8898643
 Leave Link  202 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    42 symmetry adapted cartesian basis functions of A   symmetry.
 There are    42 symmetry adapted basis functions of A   symmetry.
    42 basis functions,    80 primitive gaussians,    42 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy        42.1057862407 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 IEmpDi=  4
 NAtoms=    8 NActive=    8 NUniq=    8 SFac= 1.00D+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 Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    42 RedAO= T EigKep=  8.49D-03  NBF=    42
 NBsUse=    42 1.00D-06 EigRej= -1.00D+00 NBFU=    42
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    42    42    42    42    42 MxSgAt=     8 MxSgA2=     8.
 Leave Link  302 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/51394.1.multiway.q/Gau-76741.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.772559   -0.634943    0.000008    0.000012 Ang= -78.83 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Aug 30 14:09:59 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 ints in memory in canonical form, NReq=1293450.
 IVT=       24424 IEndB=       24424 NGot=    33554432 MDV=    33121853
 LenX=    33121853 LenY=    33119648
 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=    903 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -79.8304175567525    
 DIIS: error= 3.51D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.8304175567525     IErMin= 1 ErrMin= 3.51D-04
 ErrMax= 3.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-06 BMatP= 2.09D-06
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.51D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     2.112 Goal=   None    Shift=    0.000
 RMSDP=4.79D-05 MaxDP=4.28D-04              OVMax= 7.46D-04

 Cycle   2  Pass 1  IDiag  1:
 E= -79.8304208314495     Delta-E=       -0.000003274697 Rises=F Damp=F
 DIIS: error= 6.33D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -79.8304208314495     IErMin= 2 ErrMin= 6.33D-05
 ErrMax= 6.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-07 BMatP= 2.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.688D-01 0.931D+00
 Coeff:      0.688D-01 0.931D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=1.24D-04 DE=-3.27D-06 OVMax= 1.63D-04

 Cycle   3  Pass 1  IDiag  1:
 E= -79.8304208572481     Delta-E=       -0.000000025799 Rises=F Damp=F
 DIIS: error= 5.27D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -79.8304208572481     IErMin= 3 ErrMin= 5.27D-05
 ErrMax= 5.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-08 BMatP= 1.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-01 0.476D+00 0.537D+00
 Coeff:     -0.131D-01 0.476D+00 0.537D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=6.53D-06 MaxDP=6.06D-05 DE=-2.58D-08 OVMax= 7.59D-05

 Cycle   4  Pass 1  IDiag  1:
 E= -79.8304209454692     Delta-E=       -0.000000088221 Rises=F Damp=F
 DIIS: error= 5.86D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -79.8304209454692     IErMin= 4 ErrMin= 5.86D-06
 ErrMax= 5.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-09 BMatP= 8.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.926D-02 0.115D+00 0.183D+00 0.711D+00
 Coeff:     -0.926D-02 0.115D+00 0.183D+00 0.711D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=6.48D-07 MaxDP=4.56D-06 DE=-8.82D-08 OVMax= 8.27D-06

 Cycle   5  Pass 1  IDiag  1:
 E= -79.8304209466074     Delta-E=       -0.000000001138 Rises=F Damp=F
 DIIS: error= 2.11D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -79.8304209466074     IErMin= 5 ErrMin= 2.11D-07
 ErrMax= 2.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-12 BMatP= 1.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-03-0.518D-03 0.423D-02 0.217D-01 0.975D+00
 Coeff:     -0.196D-03-0.518D-03 0.423D-02 0.217D-01 0.975D+00
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=3.87D-08 MaxDP=2.40D-07 DE=-1.14D-09 OVMax= 4.52D-07

 Cycle   6  Pass 1  IDiag  1:
 E= -79.8304209466095     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.19D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -79.8304209466095     IErMin= 6 ErrMin= 1.19D-08
 ErrMax= 1.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-15 BMatP= 1.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-04-0.277D-03-0.630D-03-0.122D-02-0.535D-02 0.101D+01
 Coeff:      0.207D-04-0.277D-03-0.630D-03-0.122D-02-0.535D-02 0.101D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=2.50D-09 MaxDP=1.58D-08 DE=-2.07D-12 OVMax= 2.56D-08

 SCF Done:  E(RB3LYP) =  -79.8304209466     A.U. after    6 cycles
            NFock=  6  Conv=0.25D-08     -V/T= 2.0108
 KE= 7.897403924045D+01 PE=-2.680168185511D+02 EE= 6.710657212333D+01
 Leave Link  502 at Wed Aug 30 14:10:01 2017, MaxMem=    33554432 cpu:         1.9
 (Enter /usr/local/gaussian/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 Leave Link  701 at Wed Aug 30 14:10:01 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Wed Aug 30 14:10:01 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2127 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2127 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Leave Link  703 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.7
 (Enter /usr/local/gaussian/g09/l716.exe)
 Dipole        =-1.33394671D-08 3.27585731D-08-3.79911674D-08
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009248    0.000012630    0.000023039
      2        1          -0.000018329    0.000068059   -0.000027580
      3        1          -0.000011695   -0.000033591   -0.000044976
      4        1           0.000061561   -0.000003740   -0.000010235
      5        6           0.000009249   -0.000012518   -0.000022942
      6        1           0.000021227   -0.000067099    0.000029355
      7        1          -0.000061585    0.000000696    0.000008465
      8        1           0.000008821    0.000035563    0.000044875
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000068059 RMS     0.000033853
 Leave Link  716 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000076658 RMS     0.000034096
 Search for a local minimum.
 Step number   4 out of a maximum of   38
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .34096D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2    3    4
 DE= -1.13D-05 DEPred=-8.13D-06 R= 1.39D+00
 TightC=F SS=  1.41D+00  RLast= 1.10D-02 DXNew= 7.2892D-01 3.2896D-02
 Trust test= 1.39D+00 RLast= 1.10D-02 DXMaxT set to 4.33D-01
 ITU=  1  1  1  0
     Eigenvalues ---    0.00237   0.05371   0.05371   0.05372   0.05375
     Eigenvalues ---    0.12412   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16029   0.28830   0.37038   0.37229   0.37230
     Eigenvalues ---    0.37230   0.37230   0.37253
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     4    3
 RFO step:  Lambda=-5.63075231D-08.
 NNeg= 0 NP= 2 Switch=  2.50D-03 Rises=F DC=  1.13D-05 SmlDif=  1.00D-05
 RMS Error=  0.6145764601D-04 NUsed= 2 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.01525   -0.01525
 Iteration  1 RMS(Cart)=  0.00025959 RMS(Int)=  0.00000005
 Iteration  2 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000004
 ITry= 1 IFail=0 DXMaxC= 5.06D-04 DCOld= 1.00D+10 DXMaxT= 4.33D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.07165  -0.00007  -0.00001  -0.00019  -0.00020   2.07145
    R2        2.07164  -0.00005  -0.00001  -0.00014  -0.00014   2.07149
    R3        2.07164  -0.00006  -0.00001  -0.00016  -0.00016   2.07147
    R4        2.89248  -0.00008  -0.00008  -0.00015  -0.00022   2.89226
    R5        2.07165  -0.00007  -0.00001  -0.00019  -0.00020   2.07145
    R6        2.07164  -0.00006  -0.00001  -0.00016  -0.00016   2.07147
    R7        2.07164  -0.00005  -0.00001  -0.00014  -0.00014   2.07149
    A1        1.87668   0.00001  -0.00004   0.00009   0.00005   1.87672
    A2        1.87670   0.00001  -0.00004   0.00004  -0.00001   1.87670
    A3        1.94355  -0.00003   0.00004  -0.00024  -0.00020   1.94335
    A4        1.87663   0.00001  -0.00004   0.00013   0.00009   1.87672
    A5        1.94345   0.00001   0.00004   0.00004   0.00008   1.94353
    A6        1.94345   0.00000   0.00004  -0.00005  -0.00001   1.94344
    A7        1.94355  -0.00003   0.00004  -0.00024  -0.00020   1.94335
    A8        1.94345   0.00000   0.00004  -0.00005  -0.00001   1.94344
    A9        1.94345   0.00001   0.00004   0.00004   0.00008   1.94353
   A10        1.87670   0.00001  -0.00004   0.00004  -0.00001   1.87670
   A11        1.87668   0.00001  -0.00004   0.00009   0.00005   1.87672
   A12        1.87663   0.00001  -0.00004   0.00013   0.00009   1.87672
    D1        3.14111   0.00000  -0.00001   0.00048   0.00047   3.14158
    D2       -1.04762  -0.00001  -0.00001   0.00034   0.00033  -1.04729
    D3        1.04668   0.00000  -0.00001   0.00050   0.00049   1.04718
    D4       -1.04765   0.00000  -0.00001   0.00046   0.00045  -1.04720
    D5        1.04681  -0.00001  -0.00001   0.00031   0.00031   1.04712
    D6        3.14111   0.00000  -0.00001   0.00048   0.00047   3.14158
    D7        1.04665   0.00001  -0.00001   0.00063   0.00062   1.04727
    D8        3.14111   0.00000  -0.00001   0.00048   0.00047   3.14158
    D9       -1.04778   0.00001  -0.00001   0.00065   0.00064  -1.04714
         Item               Value     Threshold  Converged?
 Maximum Force            0.000077     0.000450     YES
 RMS     Force            0.000034     0.000300     YES
 Maximum Displacement     0.000506     0.001800     YES
 RMS     Displacement     0.000260     0.001200     YES
 Predicted change in Energy=-5.287842D-08
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0963         -DE/DX =   -0.0001              !
 ! R2    R(1,3)                  1.0963         -DE/DX =   -0.0001              !
 ! R3    R(1,4)                  1.0963         -DE/DX =   -0.0001              !
 ! R4    R(1,5)                  1.5306         -DE/DX =   -0.0001              !
 ! R5    R(5,6)                  1.0963         -DE/DX =   -0.0001              !
 ! R6    R(5,7)                  1.0963         -DE/DX =   -0.0001              !
 ! R7    R(5,8)                  1.0963         -DE/DX =   -0.0001              !
 ! A1    A(2,1,3)              107.5257         -DE/DX =    0.0                 !
 ! A2    A(2,1,4)              107.5272         -DE/DX =    0.0                 !
 ! A3    A(2,1,5)              111.3572         -DE/DX =    0.0                 !
 ! A4    A(3,1,4)              107.5231         -DE/DX =    0.0                 !
 ! A5    A(3,1,5)              111.3512         -DE/DX =    0.0                 !
 ! A6    A(4,1,5)              111.3514         -DE/DX =    0.0                 !
 ! A7    A(1,5,6)              111.3572         -DE/DX =    0.0                 !
 ! A8    A(1,5,7)              111.3514         -DE/DX =    0.0                 !
 ! A9    A(1,5,8)              111.3512         -DE/DX =    0.0                 !
 ! A10   A(6,5,7)              107.5272         -DE/DX =    0.0                 !
 ! A11   A(6,5,8)              107.5257         -DE/DX =    0.0                 !
 ! A12   A(7,5,8)              107.5231         -DE/DX =    0.0                 !
 ! D1    D(2,1,5,6)            179.9722         -DE/DX =    0.0                 !
 ! D2    D(2,1,5,7)            -60.024          -DE/DX =    0.0                 !
 ! D3    D(2,1,5,8)             59.9705         -DE/DX =    0.0                 !
 ! D4    D(3,1,5,6)            -60.0261         -DE/DX =    0.0                 !
 ! D5    D(3,1,5,7)             59.9777         -DE/DX =    0.0                 !
 ! D6    D(3,1,5,8)            179.9723         -DE/DX =    0.0                 !
 ! D7    D(4,1,5,6)             59.9685         -DE/DX =    0.0                 !
 ! D8    D(4,1,5,7)            179.9722         -DE/DX =    0.0                 !
 ! D9    D(4,1,5,8)            -60.0332         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Largest change from initial coordinates is atom    4       1.363 Angstoms.
 Leave Link  103 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.286032    1.091231   -0.003834
      2          1           0       -0.937193    0.052425    0.027749
      3          1           0       -0.938399    1.584182    0.911558
      4          1           0       -2.381705    1.072643    0.026980
      5          6           0       -0.775835    1.812827   -1.253571
      6          1           0       -1.125078    2.851489   -1.285402
      7          1           0        0.319837    1.831843   -1.284138
      8          1           0       -1.123065    1.319590   -2.168962
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.096268   0.000000
     3  H    1.096263   1.768445   0.000000
     4  H    1.096263   1.768462   1.768412   0.000000
     5  C    1.530635   2.183308   2.183229   2.183232   0.000000
     6  H    2.183308   3.097487   2.543137   2.542784   1.096268
     7  H    2.183232   2.543128   2.542749   3.097376   1.096263
     8  H    2.183229   2.542793   3.097372   2.543093   1.096263
                    6          7          8
     6  H    0.000000
     7  H    1.768462   0.000000
     8  H    1.768445   1.768412   0.000000
 Stoichiometry    C2H6
 Framework group  C1[X(C2H6)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.51D-11
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.765318    0.000004   -0.000003
      2          1           0        1.164553    1.005505   -0.177152
      3          1           0        1.164455   -0.349371    0.959382
      4          1           0        1.164453   -0.656233   -0.782203
      5          6           0       -0.765318   -0.000004    0.000003
      6          1           0       -1.164553   -1.005590    0.176665
      7          1           0       -1.164453    0.655854    0.782521
      8          1           0       -1.164455    0.349836   -0.959212
 ---------------------------------------------------------------------
 Rotational constants (GHZ):     80.1717723     19.8900279     19.8898643
 Leave Link  202 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.17241 -10.17220  -0.74737  -0.61195  -0.43005
 Alpha  occ. eigenvalues --   -0.43005  -0.36284  -0.34007  -0.34006
 Alpha virt. eigenvalues --    0.10476   0.15600   0.16365   0.16365   0.19020
 Alpha virt. eigenvalues --    0.19021   0.24250   0.51317   0.54375   0.54376
 Alpha virt. eigenvalues --    0.63683   0.63687   0.66844   0.88293   0.88294
 Alpha virt. eigenvalues --    0.90643   0.91955   0.91956   0.97917   1.06591
 Alpha virt. eigenvalues --    1.43932   1.52623   1.52628   1.93223   1.98078
 Alpha virt. eigenvalues --    1.98087   2.27039   2.27046   2.33300   2.33306
 Alpha virt. eigenvalues --    2.58714   4.14483   4.36587
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.012085   0.382749   0.382745   0.382746   0.376117  -0.034543
     2  H    0.382749   0.574868  -0.032366  -0.032364  -0.034543   0.004637
     3  H    0.382745  -0.032366   0.574888  -0.032369  -0.034553  -0.003620
     4  H    0.382746  -0.032364  -0.032369   0.574888  -0.034552  -0.003629
     5  C    0.376117  -0.034543  -0.034553  -0.034552   5.012085   0.382749
     6  H   -0.034543   0.004637  -0.003620  -0.003629   0.382749   0.574868
     7  H   -0.034552  -0.003619  -0.003630   0.004638   0.382746  -0.032364
     8  H   -0.034553  -0.003629   0.004639  -0.003621   0.382745  -0.032366
               7          8
     1  C   -0.034552  -0.034553
     2  H   -0.003619  -0.003629
     3  H   -0.003630   0.004639
     4  H    0.004638  -0.003621
     5  C    0.382746   0.382745
     6  H   -0.032364  -0.032366
     7  H    0.574888  -0.032369
     8  H   -0.032369   0.574888
 Mulliken charges:
               1
     1  C   -0.432795
     2  H    0.144267
     3  H    0.144265
     4  H    0.144262
     5  C   -0.432794
     6  H    0.144267
     7  H    0.144262
     8  H    0.144265
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.000000
     5  C    0.000000
 Electronic spatial extent (au):  <R**2>=            109.6941
 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=            -15.2306   YY=            -14.7146   ZZ=            -14.7150
   XY=              0.0002   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3439   YY=              0.1721   ZZ=              0.1718
   XY=              0.0002   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -0.0003  ZZZ=              0.0006  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0003
  YYZ=             -0.0006  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -92.7394 YYYY=            -28.6654 ZZZZ=            -28.6651 XXXY=              0.0008
 XXXZ=              0.0000 YYYX=              1.0391 YYYZ=              0.0001 ZZZX=              0.5983
 ZZZY=             -0.0001 XXYY=            -19.1615 XXZZ=            -19.1622 YYZZ=             -9.5550
 XXYZ=             -0.0001 YYXZ=             -0.5983 ZZXY=             -1.0388
 N-N= 4.210578624069D+01 E-N=-2.680168191690D+02  KE= 7.897403924045D+01
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l9999.exe)
 1\1\GINC-COMP0212\FOpt\RB3LYP\6-31G(d)\C2H6\RPATON\30-Aug-2017\0\\#p B
 3LYP/6-31G* opt freq\\opt freq\\0,1\C,-1.28603236,1.0912305794,-0.0038
 341416\H,-0.9371928406,0.0524253709,0.0277494184\H,-0.9383989766,1.584
 1820884,0.9115578865\H,-2.3817046641,1.0726428583,0.0269799219\C,-0.77
 58351067,1.8128268986,-1.2535709642\H,-1.1250782773,2.8514889933,-1.28
 54018512\H,0.319836766,1.8318430546,-1.2841377817\H,-1.1230645406,1.31
 95901565,-2.1689624881\\Version=EM64L-G09RevD.01\State=1-A\HF=-79.8304
 209\RMSD=2.501e-09\RMSF=3.385e-05\Dipole=0.,0.,0.\Quadrupole=0.0851513
 ,0.0427591,-0.1279104,-0.0603618,0.104386,0.1475451\PG=C01 [X(C2H6)]\\
 @


 FROM AN ANONYMOUS WRITER, ON PERSPECTIVE:

 MAN, DESPITE HIS ARTISTIC PRETENSIONS, HIS SOPHISTICATION AND MANY 
 ACCOMPLISHMENTS, OWES THE FACT OF HIS EXISTENCE TO A SIX-INCH LAYER OF 
 TOPSOIL AND THE FACT THAT IT RAINS.
 Leave Link 9999 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Wed Aug 30 14:10:02 2017.
 (Enter /usr/local/gaussian/g09/l1.exe)
 Link1:  Proceeding to internal job step number  2.
 --------------------------------------------------------------------
 #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq
 --------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=1,6=6,7=1,11=2,14=-4,16=1,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,18=1,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Leave Link    1 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l101.exe)
 Structure from the checkpoint file:  "/scratch/51394.1.multiway.q/Gau-76741.chk"
 --------
 opt freq
 --------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.
 C,0,-1.28603236,1.0912305794,-0.0038341416
 H,0,-0.9371928406,0.0524253709,0.0277494184
 H,0,-0.9383989766,1.5841820884,0.9115578865
 H,0,-2.3817046641,1.0726428583,0.0269799219
 C,0,-0.7758351067,1.8128268986,-1.2535709642
 H,0,-1.1250782773,2.8514889933,-1.2854018512
 H,0,0.319836766,1.8318430546,-1.2841377817
 H,0,-1.1230645406,1.3195901565,-2.1689624881
 Recover connectivity data from disk.
 NAtoms=      8 NQM=        8 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8
 IAtWgt=          12           1           1           1          12           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           1           1           1
 AtZEff=  -3.6000000  -1.0000000  -1.0000000  -1.0000000  -3.6000000  -1.0000000  -1.0000000  -1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0963         calculate D2E/DX2 analytically  !
 ! R2    R(1,3)                  1.0963         calculate D2E/DX2 analytically  !
 ! R3    R(1,4)                  1.0963         calculate D2E/DX2 analytically  !
 ! R4    R(1,5)                  1.5306         calculate D2E/DX2 analytically  !
 ! R5    R(5,6)                  1.0963         calculate D2E/DX2 analytically  !
 ! R6    R(5,7)                  1.0963         calculate D2E/DX2 analytically  !
 ! R7    R(5,8)                  1.0963         calculate D2E/DX2 analytically  !
 ! A1    A(2,1,3)              107.5257         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,4)              107.5272         calculate D2E/DX2 analytically  !
 ! A3    A(2,1,5)              111.3572         calculate D2E/DX2 analytically  !
 ! A4    A(3,1,4)              107.5231         calculate D2E/DX2 analytically  !
 ! A5    A(3,1,5)              111.3512         calculate D2E/DX2 analytically  !
 ! A6    A(4,1,5)              111.3514         calculate D2E/DX2 analytically  !
 ! A7    A(1,5,6)              111.3572         calculate D2E/DX2 analytically  !
 ! A8    A(1,5,7)              111.3514         calculate D2E/DX2 analytically  !
 ! A9    A(1,5,8)              111.3512         calculate D2E/DX2 analytically  !
 ! A10   A(6,5,7)              107.5272         calculate D2E/DX2 analytically  !
 ! A11   A(6,5,8)              107.5257         calculate D2E/DX2 analytically  !
 ! A12   A(7,5,8)              107.5231         calculate D2E/DX2 analytically  !
 ! D1    D(2,1,5,6)            179.9722         calculate D2E/DX2 analytically  !
 ! D2    D(2,1,5,7)            -60.024          calculate D2E/DX2 analytically  !
 ! D3    D(2,1,5,8)             59.9705         calculate D2E/DX2 analytically  !
 ! D4    D(3,1,5,6)            -60.0261         calculate D2E/DX2 analytically  !
 ! D5    D(3,1,5,7)             59.9777         calculate D2E/DX2 analytically  !
 ! D6    D(3,1,5,8)            179.9723         calculate D2E/DX2 analytically  !
 ! D7    D(4,1,5,6)             59.9685         calculate D2E/DX2 analytically  !
 ! D8    D(4,1,5,7)            179.9722         calculate D2E/DX2 analytically  !
 ! D9    D(4,1,5,8)            -60.0332         calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.286032    1.091231   -0.003834
      2          1           0       -0.937193    0.052425    0.027749
      3          1           0       -0.938399    1.584182    0.911558
      4          1           0       -2.381705    1.072643    0.026980
      5          6           0       -0.775835    1.812827   -1.253571
      6          1           0       -1.125078    2.851489   -1.285402
      7          1           0        0.319837    1.831843   -1.284138
      8          1           0       -1.123065    1.319590   -2.168962
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.096268   0.000000
     3  H    1.096263   1.768445   0.000000
     4  H    1.096263   1.768462   1.768412   0.000000
     5  C    1.530635   2.183308   2.183229   2.183232   0.000000
     6  H    2.183308   3.097487   2.543137   2.542784   1.096268
     7  H    2.183232   2.543128   2.542749   3.097376   1.096263
     8  H    2.183229   2.542793   3.097372   2.543093   1.096263
                    6          7          8
     6  H    0.000000
     7  H    1.768462   0.000000
     8  H    1.768445   1.768412   0.000000
 Stoichiometry    C2H6
 Framework group  C1[X(C2H6)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 5.31D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.765318    0.000004   -0.000003
      2          1           0        1.164553    1.005505   -0.177152
      3          1           0        1.164455   -0.349371    0.959382
      4          1           0        1.164453   -0.656233   -0.782203
      5          6           0       -0.765318   -0.000004    0.000003
      6          1           0       -1.164553   -1.005590    0.176665
      7          1           0       -1.164453    0.655854    0.782521
      8          1           0       -1.164455    0.349836   -0.959212
 ---------------------------------------------------------------------
 Rotational constants (GHZ):     80.1717723     19.8900279     19.8898643
 Leave Link  202 at Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l301.exe)
 Standard basis: 6-31G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    42 symmetry adapted cartesian basis functions of A   symmetry.
 There are    42 symmetry adapted basis functions of A   symmetry.
    42 basis functions,    80 primitive gaussians,    42 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy        42.1057862407 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 IEmpDi=  4
 NAtoms=    8 NActive=    8 NUniq=    8 SFac= 1.00D+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 Wed Aug 30 14:10:02 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    42 RedAO= T EigKep=  8.49D-03  NBF=    42
 NBsUse=    42 1.00D-06 EigRej= -1.00D+00 NBFU=    42
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    42    42    42    42    42 MxSgAt=     8 MxSgA2=     8.
 Leave Link  302 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/51394.1.multiway.q/Gau-76741.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 ints in memory in canonical form, NReq=1293450.
 IVT=       24424 IEndB=       24424 NGot=    33554432 MDV=    33121853
 LenX=    33121853 LenY=    33119648
 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=    903 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -79.8304209466090    
 DIIS: error= 6.46D-10 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -79.8304209466090     IErMin= 1 ErrMin= 6.46D-10
 ErrMax= 6.46D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-17 BMatP= 1.61D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=1.90D-10 MaxDP=1.33D-09              OVMax= 2.14D-09

 SCF Done:  E(RB3LYP) =  -79.8304209466     A.U. after    1 cycles
            NFock=  1  Conv=0.19D-09     -V/T= 2.0108
 KE= 7.897403921328D+01 PE=-2.680168191418D+02 EE= 6.710657274126D+01
 Leave Link  502 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.4
 (Enter /usr/local/gaussian/g09/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1    42
 NBasis=    42 NAE=     9 NBE=     9 NFC=     0 NFV=     0
 NROrb=     42 NOA=     9 NOB=     9 NVA=    33 NVB=    33
 Leave Link  801 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l1101.exe)
 Using compressed storage, NAtomX=     8.
 Will process      9 centers per pass.
 Leave Link 1101 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l1102.exe)
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 Leave Link 1102 at Wed Aug 30 14:10:03 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l1110.exe)
 Forming Gx(P) for the SCF density, NAtomX=     8.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Do as many integral derivatives as possible in FoFJK.
 G2DrvN: MDV=      33554264.
 G2DrvN: will do     9 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 FoFJK:  IHMeth= 1 ICntrl=    3107 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    3107 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
 Leave Link 1110 at Wed Aug 30 14:10:07 2017, MaxMem=    33554432 cpu:         4.2
 (Enter /usr/local/gaussian/g09/l1002.exe)
 Minotr:  Closed shell wavefunction.
          IDoAtm=11111111
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          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=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
          MDV=      33554306 using IRadAn=       2.
 Generate precomputed XC quadrature information.
 Keep R1 ints in memory in canonical form, NReq=1269762.
 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=    903 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
          Solving linear equations simultaneously, MaxMat=       0.
          There are    27 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
     24 vectors produced by pass  0 Test12= 1.10D-15 3.70D-09 XBig12= 1.22D+01 1.87D+00.
 AX will form    24 AO Fock derivatives at one time.
     24 vectors produced by pass  1 Test12= 1.10D-15 3.70D-09 XBig12= 1.82D-01 1.51D-01.
     24 vectors produced by pass  2 Test12= 1.10D-15 3.70D-09 XBig12= 1.17D-04 3.89D-03.
     24 vectors produced by pass  3 Test12= 1.10D-15 3.70D-09 XBig12= 6.85D-08 1.02D-04.
     22 vectors produced by pass  4 Test12= 1.10D-15 3.70D-09 XBig12= 4.19D-11 2.08D-06.
      5 vectors produced by pass  5 Test12= 1.10D-15 3.70D-09 XBig12= 4.55D-14 7.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.88D-16
 Solved reduced A of dimension   123 with    27 vectors.
 FullF1:  Do perturbations    1 to     3.
 Isotropic polarizability for W=    0.000000       22.93 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Aug 30 14:10:11 2017, MaxMem=    33554432 cpu:         3.4
 (Enter /usr/local/gaussian/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.17241 -10.17220  -0.74737  -0.61195  -0.43005
 Alpha  occ. eigenvalues --   -0.43005  -0.36284  -0.34007  -0.34006
 Alpha virt. eigenvalues --    0.10476   0.15600   0.16365   0.16365   0.19020
 Alpha virt. eigenvalues --    0.19021   0.24250   0.51317   0.54375   0.54376
 Alpha virt. eigenvalues --    0.63683   0.63687   0.66844   0.88293   0.88294
 Alpha virt. eigenvalues --    0.90643   0.91955   0.91956   0.97917   1.06591
 Alpha virt. eigenvalues --    1.43932   1.52623   1.52628   1.93223   1.98078
 Alpha virt. eigenvalues --    1.98087   2.27039   2.27046   2.33300   2.33306
 Alpha virt. eigenvalues --    2.58714   4.14483   4.36587
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.012085   0.382749   0.382745   0.382746   0.376117  -0.034543
     2  H    0.382749   0.574868  -0.032366  -0.032364  -0.034543   0.004637
     3  H    0.382745  -0.032366   0.574888  -0.032369  -0.034553  -0.003620
     4  H    0.382746  -0.032364  -0.032369   0.574888  -0.034552  -0.003629
     5  C    0.376117  -0.034543  -0.034553  -0.034552   5.012085   0.382749
     6  H   -0.034543   0.004637  -0.003620  -0.003629   0.382749   0.574868
     7  H   -0.034552  -0.003619  -0.003630   0.004638   0.382746  -0.032364
     8  H   -0.034553  -0.003629   0.004639  -0.003621   0.382745  -0.032366
               7          8
     1  C   -0.034552  -0.034553
     2  H   -0.003619  -0.003629
     3  H   -0.003630   0.004639
     4  H    0.004638  -0.003621
     5  C    0.382746   0.382745
     6  H   -0.032364  -0.032366
     7  H    0.574888  -0.032369
     8  H   -0.032369   0.574888
 Mulliken charges:
               1
     1  C   -0.432795
     2  H    0.144267
     3  H    0.144265
     4  H    0.144262
     5  C   -0.432794
     6  H    0.144267
     7  H    0.144262
     8  H    0.144265
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.000000
     5  C    0.000000
 APT charges:
               1
     1  C    0.106740
     2  H   -0.035575
     3  H   -0.035581
     4  H   -0.035585
     5  C    0.106740
     6  H   -0.035575
     7  H   -0.035585
     8  H   -0.035581
 Sum of APT charges =   0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.000000
     5  C    0.000000
 Electronic spatial extent (au):  <R**2>=            109.6941
 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=            -15.2306   YY=            -14.7146   ZZ=            -14.7150
   XY=              0.0002   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3439   YY=              0.1721   ZZ=              0.1718
   XY=              0.0002   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -0.0003  ZZZ=              0.0006  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0003
  YYZ=             -0.0006  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -92.7394 YYYY=            -28.6654 ZZZZ=            -28.6651 XXXY=              0.0008
 XXXZ=              0.0000 YYYX=              1.0391 YYYZ=              0.0001 ZZZX=              0.5983
 ZZZY=             -0.0001 XXYY=            -19.1615 XXZZ=            -19.1622 YYZZ=             -9.5550
 XXYZ=             -0.0001 YYXZ=             -0.5983 ZZXY=             -1.0388
 N-N= 4.210578624069D+01 E-N=-2.680168190975D+02  KE= 7.897403921328D+01
  Exact polarizability:  23.941   0.000  22.420   0.000   0.000  22.419
 Approx polarizability:  27.513   0.001  28.754   0.000   0.000  28.753
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Aug 30 14:10:11 2017, MaxMem=    33554432 cpu:         0.1
 (Enter /usr/local/gaussian/g09/l701.exe)
 Compute integral second derivatives.
 ... and contract with generalized density number  0.
 Leave Link  701 at Wed Aug 30 14:10:11 2017, MaxMem=    33554432 cpu:         0.2
 (Enter /usr/local/gaussian/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Wed Aug 30 14:10:11 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l703.exe)
 Compute integral second derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=  100127 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=  100127 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Leave Link  703 at Wed Aug 30 14:10:17 2017, MaxMem=    33554432 cpu:         5.5
 (Enter /usr/local/gaussian/g09/l716.exe)
 Dipole        =-1.29899242D-08 3.29416566D-08-3.92712531D-08
 Polarizability= 2.39405163D+01 3.70235974D-04 2.24198645D+01
                -6.62851578D-05-1.02297599D-04 2.24190878D+01
 Full mass-weighted force constant matrix:
 Low frequencies ---  -12.4696    0.0007    0.0008    0.0013    4.6290   22.7207
 Low frequencies ---  313.8806  832.5925  832.9318
 Diagonal vibrational polarizability:
        0.1745101       0.4701103       0.4700925
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                      A                      A                      A
 Frequencies --    313.8806               832.5925               832.9318
 Red. masses --      1.0078                 1.0576                 1.0576
 Frc consts  --      0.0585                 0.4319                 0.4323
 IR Inten    --      0.0000                 4.6672                 4.6736
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.05  -0.01     0.00   0.01  -0.05
     2   1     0.00  -0.07  -0.40    -0.45   0.15   0.08     0.23  -0.04   0.21
     3   1     0.00   0.38   0.14     0.02   0.21   0.07    -0.51  -0.04   0.15
     4   1     0.00  -0.31   0.26     0.43   0.18   0.02     0.27  -0.09   0.18
     5   6     0.00   0.00   0.00     0.00  -0.05  -0.01     0.00   0.01  -0.05
     6   1     0.00  -0.07  -0.40    -0.45   0.15   0.08     0.23  -0.04   0.21
     7   1     0.00  -0.31   0.26     0.43   0.18   0.02     0.27  -0.09   0.18
     8   1     0.00   0.38   0.14     0.02   0.21   0.07    -0.51  -0.04   0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --   1009.7581              1235.9432              1236.1441
 Red. masses --      3.2485                 1.4649                 1.4650
 Frc consts  --      1.9515                 1.3184                 1.3190
 IR Inten    --      0.0000                 0.0000                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.00   0.00     0.00   0.04   0.14     0.00   0.14  -0.04
     2   1     0.36  -0.01   0.00     0.07  -0.05  -0.24     0.50  -0.05   0.05
     3   1     0.36   0.00  -0.01     0.39  -0.13  -0.10    -0.31  -0.20  -0.03
     4   1     0.36   0.01   0.01    -0.47   0.04  -0.10    -0.19  -0.19   0.13
     5   6    -0.32   0.00   0.00     0.00  -0.04  -0.14     0.00  -0.14   0.04
     6   1    -0.36   0.01   0.00    -0.07   0.05   0.24    -0.50   0.05  -0.05
     7   1    -0.36  -0.01  -0.01     0.47  -0.04   0.10     0.19   0.19  -0.13
     8   1    -0.36   0.00   0.01    -0.39   0.13   0.10     0.31   0.20   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --   1433.6862              1454.4599              1531.8686
 Red. masses --      1.1980                 1.2573                 1.0198
 Frc consts  --      1.4508                 1.5671                 1.4099
 IR Inten    --      0.2596                 0.0000                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.00   0.00    -0.11   0.00   0.00     0.00  -0.02   0.00
     2   1    -0.37   0.16  -0.03     0.36  -0.17   0.03     0.28  -0.12   0.02
     3   1    -0.37  -0.06   0.16     0.36   0.06  -0.16    -0.14   0.38   0.20
     4   1    -0.37  -0.11  -0.13     0.36   0.11   0.13    -0.14   0.29  -0.32
     5   6     0.09   0.00   0.00     0.11   0.00   0.00     0.00   0.02   0.00
     6   1    -0.37   0.16  -0.03    -0.36   0.17  -0.03    -0.28   0.12  -0.02
     7   1    -0.37  -0.11  -0.13    -0.36  -0.11  -0.13     0.14  -0.29   0.32
     8   1    -0.37  -0.06   0.16    -0.36  -0.06   0.16     0.14  -0.37  -0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1532.2036              1537.4883              1538.0761
 Red. masses --      1.0198                 1.0620                 1.0619
 Frc consts  --      1.4106                 1.4791                 1.4801
 IR Inten    --      0.0000                 7.4699                 7.4608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02     0.00   0.05  -0.01     0.00  -0.01  -0.05
     2   1     0.00   0.08   0.48    -0.22   0.12  -0.02     0.00   0.09   0.51
     3   1     0.25   0.27  -0.01     0.11  -0.40  -0.21     0.19   0.28  -0.01
     4   1    -0.25  -0.25   0.08     0.11  -0.31   0.33    -0.19  -0.26   0.08
     5   6     0.00   0.00   0.02     0.00   0.05  -0.01     0.00  -0.01  -0.05
     6   1     0.00  -0.08  -0.48    -0.22   0.12  -0.02     0.00   0.09   0.51
     7   1     0.25   0.25  -0.08     0.11  -0.31   0.33    -0.19  -0.26   0.08
     8   1    -0.25  -0.27   0.01     0.11  -0.40  -0.21     0.19   0.28  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --   3046.9427              3047.8868              3098.2497
 Red. masses --      1.0367                 1.0343                 1.1020
 Frc consts  --      5.6706                 5.6612                 6.2327
 IR Inten    --      0.0000                59.0666                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00   0.00     0.03   0.00   0.00     0.00   0.03  -0.06
     2   1     0.14   0.38  -0.07    -0.14  -0.38   0.07    -0.12  -0.30   0.04
     3   1     0.14  -0.13   0.36    -0.14   0.13  -0.36     0.20  -0.18   0.50
     4   1     0.14  -0.25  -0.29    -0.14   0.25   0.29    -0.09   0.16   0.17
     5   6     0.04   0.00   0.00     0.03   0.00   0.00     0.00  -0.03   0.06
     6   1    -0.14  -0.38   0.07    -0.14  -0.38   0.07     0.12   0.30  -0.04
     7   1    -0.14   0.25   0.29    -0.14   0.25   0.29     0.09  -0.16  -0.17
     8   1    -0.14   0.13  -0.36    -0.14   0.13  -0.36    -0.20   0.18  -0.50
                     16                     17                     18
                      A                      A                      A
 Frequencies --   3098.3518              3122.6100              3122.6885
 Red. masses --      1.1020                 1.1030                 1.1030
 Frc consts  --      6.2330                 6.3368                 6.3372
 IR Inten    --      0.0000                73.8930                73.8748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.03     0.00  -0.04   0.05     0.00   0.05   0.04
     2   1     0.17   0.43  -0.09     0.14   0.37  -0.06    -0.15  -0.38   0.08
     3   1     0.02  -0.03   0.04    -0.20   0.17  -0.49    -0.05   0.06  -0.12
     4   1    -0.19   0.31   0.38     0.06  -0.10  -0.10     0.20  -0.33  -0.40
     5   6     0.00   0.06   0.03     0.00  -0.04   0.05     0.00   0.05   0.04
     6   1    -0.17  -0.43   0.09     0.14   0.37  -0.06    -0.15  -0.38   0.08
     7   1     0.19  -0.31  -0.38     0.06  -0.10  -0.10     0.20  -0.33  -0.40
     8   1    -0.02   0.03  -0.04    -0.20   0.17  -0.49    -0.05   0.06  -0.12

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  1 and mass   1.00783
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Molecular mass:    30.04695 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    22.51093  90.73598  90.73673
           X            1.00000   0.00000   0.00000
           Y            0.00000   1.00000   0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      3.84763     0.95457     0.95456
 Rotational constants (GHZ):          80.17177    19.89003    19.88986
 Zero-point vibrational energy     197537.9 (Joules/Mol)
                                   47.21270 (Kcal/Mol)
 Warning -- explicit consideration of   1 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    451.60  1197.91  1198.40  1452.81  1778.24
          (Kelvin)           1778.53  2062.75  2092.64  2204.01  2204.50
                             2212.10  2212.95  4383.87  4385.22  4457.68
                             4457.83  4492.73  4492.85
 
 Zero-point correction=                           0.075238 (Hartree/Particle)
 Thermal correction to Energy=                    0.078707
 Thermal correction to Enthalpy=                  0.079651
 Thermal correction to Gibbs Free Energy=         0.052128
 Sum of electronic and zero-point Energies=            -79.755183
 Sum of electronic and thermal Energies=               -79.751714
 Sum of electronic and thermal Enthalpies=             -79.750770
 Sum of electronic and thermal Free Energies=          -79.778293
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   49.389              9.985             57.927
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             36.134
 Rotational               0.889              2.981             19.855
 Vibrational             47.612              4.023              1.938
 Vibration     1          0.702              1.647              1.342
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.105417D-23        -23.977088        -55.209286
 Total V=0       0.426597D+11         10.630018         24.476521
 Vib (Bot)       0.334142D-34        -34.476068        -79.384081
 Vib (Bot)    1  0.601073D+00         -0.221073         -0.509039
 Vib (V=0)       0.135219D+01          0.131038          0.301726
 Vib (V=0)    1  0.128185D+01          0.107837          0.248304
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.647375D+07          6.811156         15.683266
 Rotational      0.487331D+04          3.687824          8.491530
 
                                                               opt freq
                                                             IR Spectrum
 
     33 33                                                           11  11       1        1                                         
     10 00                                                           55  44       2        0       8                    3            
     29 44                                                           33  53       3        1       3                    1            
     38 87                                                           72  44       6        0       3                    4            
 
     X  X                                                            X    X                        X                                 
     X  X                                                            X                                                               
     X  X                                                                                                                            
     X  X                                                                                                                            
     X  X                                                                                                                            
     X  X                                                                                                                            
     X  X                                                                                                                            
     X  X                                                                                                                            
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
     X                                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009247    0.000012628    0.000023039
      2        1          -0.000018329    0.000068060   -0.000027580
      3        1          -0.000011695   -0.000033591   -0.000044976
      4        1           0.000061561   -0.000003739   -0.000010235
      5        6           0.000009248   -0.000012517   -0.000022943
      6        1           0.000021227   -0.000067100    0.000029355
      7        1          -0.000061585    0.000000696    0.000008465
      8        1           0.000008821    0.000035563    0.000044875
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000068060 RMS     0.000033853
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.564672D+00
      2 -0.145226D-01  0.554316D+00
      3  0.251902D-01  0.356043D-01  0.513166D+00
      4 -0.783264D-01  0.809146D-01 -0.204567D-02  0.797897D-01
      5  0.805390D-01 -0.283785D+00  0.325242D-02 -0.882252D-01  0.308159D+00
      6 -0.184603D-02  0.271895D-02 -0.494691D-01 -0.561520D-04 -0.624653D-02
      7 -0.781167D-01 -0.386176D-01 -0.708364D-01  0.353985D-02  0.501017D-02
      8 -0.386087D-01 -0.105619D+00 -0.100375D+00 -0.116970D-01 -0.138033D-01
      9 -0.704474D-01 -0.998422D-01 -0.227797D+00  0.989539D-03  0.119160D-03
     10 -0.311704D+00 -0.228253D-02  0.356073D-02 -0.977602D-02  0.356838D-04
     11 -0.195676D-02 -0.504108D-01 -0.809032D-03  0.327426D-01  0.185387D-02
     12  0.301705D-02 -0.815421D-03 -0.494314D-01  0.190050D-04 -0.369632D-03
     13 -0.951749D-01 -0.190110D-01  0.329435D-01  0.402851D-02  0.450323D-02
     14 -0.190172D-01 -0.108553D+00  0.465018D-01 -0.126299D-01 -0.139551D-01
     15  0.329400D-01  0.465043D-01 -0.162276D+00 -0.125867D-03  0.447446D-03
     16  0.403151D-02 -0.126328D-01 -0.121806D-03  0.348698D-04 -0.155451D-02
     17  0.450566D-02 -0.139558D-01  0.449782D-03 -0.155317D-02  0.313859D-03
     18 -0.100429D-01  0.283524D-01 -0.579830D-03  0.249502D-02  0.293744D-02
     19 -0.939371D-02 -0.273954D-03  0.453760D-03  0.554599D-03 -0.465042D-03
     20 -0.173502D-01 -0.562803D-03  0.147477D-04 -0.126775D-03  0.351253D-03
     21  0.300566D-01  0.519905D-04 -0.545770D-03 -0.768624D-03 -0.352818D-03
     22  0.401209D-02  0.642589D-02  0.108557D-01  0.154847D-03  0.156680D-03
     23  0.641077D-02  0.856983D-02  0.153607D-01  0.574795D-03  0.864710D-03
     24 -0.886760D-02 -0.125744D-01 -0.230674D-01 -0.507245D-03  0.212504D-03
                6             7             8             9            10 
      6  0.522112D-01
      7  0.106459D-01  0.795567D-01
      8 -0.262951D-01  0.441144D-01  0.110980D+00
      9  0.133361D-02  0.760994D-01  0.107863D+00  0.249590D+00
     10 -0.363221D-03 -0.974062D-02  0.291509D-03 -0.227417D-03  0.338246D+00
     11 -0.767044D-04 -0.164220D-01 -0.505882D-03  0.961418D-03  0.351637D-02
     12 -0.100117D-02 -0.283362D-01  0.123888D-02  0.131938D-02 -0.566447D-02
     13 -0.100366D-01  0.401507D-02  0.641492D-02 -0.887277D-02 -0.939370D-02
     14  0.283570D-01  0.642389D-02  0.856689D-02 -0.125708D-01 -0.272605D-03
     15 -0.577239D-03  0.108602D-01  0.153575D-01 -0.230672D-01  0.454505D-03
     16  0.249666D-02  0.153613D-03  0.574712D-03 -0.506758D-03  0.556382D-03
     17  0.293885D-02  0.156258D-03  0.862722D-03  0.212869D-03 -0.465190D-03
     18 -0.475960D-02 -0.765049D-03 -0.557279D-03  0.107292D-02 -0.755777D-04
     19 -0.749929D-04  0.556860D-03  0.296339D-03  0.373727D-03  0.125770D-02
     20 -0.839502D-03  0.721891D-03  0.462949D-03 -0.412400D-03 -0.111899D-02
     21  0.118720D-02 -0.261537D-03 -0.899751D-03  0.105357D-02  0.194153D-02
     22 -0.765559D-03  0.351581D-04 -0.138619D-02  0.259165D-02  0.555036D-03
     23 -0.556994D-03 -0.138694D-02 -0.943793D-03  0.366892D-02  0.295755D-03
     24  0.107512D-02  0.259363D-02  0.366752D-02 -0.350581D-02  0.373931D-03
               11            12            13            14            15 
     11  0.497187D-01
     12 -0.217840D-02  0.521816D-01
     13 -0.173542D-01  0.300543D-01  0.564672D+00
     14 -0.560385D-03  0.445994D-04 -0.145225D-01  0.554315D+00
     15  0.193033D-04 -0.548176D-03  0.251895D-01  0.356050D-01  0.513165D+00
     16 -0.127225D-03 -0.768706D-03 -0.783884D-01  0.809987D-01 -0.206814D-02
     17  0.352862D-03 -0.353475D-03  0.806197D-01 -0.283718D+00  0.330704D-02
     18 -0.839733D-03  0.118927D-02 -0.186815D-02  0.277594D-02 -0.494724D-01
     19 -0.112033D-02  0.194075D-02 -0.311704D+00 -0.238517D-02  0.350164D-02
     20 -0.909848D-03  0.333289D-02 -0.206263D-02 -0.504151D-01 -0.806008D-03
     21  0.333490D-02 -0.476082D-02  0.295620D-02 -0.813726D-03 -0.494273D-01
     22  0.721564D-03 -0.261821D-03 -0.780547D-01 -0.385952D-01 -0.707519D-01
     23  0.461464D-03 -0.899438D-03 -0.385874D-01 -0.105681D+00 -0.100435D+00
     24 -0.411749D-03  0.105136D-02 -0.703660D-01 -0.998998D-01 -0.227796D+00
               16            17            18            19            20 
     16  0.798613D-01
     17 -0.883132D-01  0.308087D+00
     18 -0.345237D-04 -0.630806D-02  0.522102D-01
     19 -0.978918D-02  0.310005D-04 -0.365188D-03  0.338245D+00
     20  0.327379D-01  0.186705D-02 -0.694879D-04  0.362972D-02  0.497186D-01
     21  0.115106D-04 -0.370145D-03 -0.100122D-02 -0.559928D-02 -0.217809D-02
     22  0.353999D-02  0.501898D-02  0.106563D-01 -0.972747D-02 -0.164309D-01
     23 -0.116835D-01 -0.138105D-01 -0.262913D-01  0.287433D-03 -0.512060D-03
     24  0.991757D-03  0.123137D-03  0.134057D-02 -0.230420D-03  0.957850D-03
               21            22            23            24 
     21  0.521819D-01
     22 -0.283364D-01  0.794851D-01
     23  0.122764D-02  0.440891D-01  0.111051D+00
     24  0.131244D-02  0.760120D-01  0.107925D+00  0.249590D+00
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Force constants in internal coordinates: 
                1             2             3             4             5 
      1  0.338365D+00
      2  0.301578D-02  0.338347D+00
      3  0.301640D-02  0.302012D-02  0.338376D+00
      4  0.578507D-02  0.580404D-02  0.579628D-02  0.290911D+00
      5 -0.110702D-02  0.607049D-03  0.605875D-03  0.578514D-02  0.338364D+00
      6  0.604952D-03  0.613809D-03 -0.110182D-02  0.579625D-02  0.301640D-02
      7  0.607940D-03 -0.109985D-02  0.612947D-03  0.580412D-02  0.301587D-02
      8  0.554228D-02  0.553073D-02  0.259356D-03 -0.163093D-01 -0.110911D-02
      9  0.555598D-02  0.251967D-03  0.553105D-02 -0.163172D-01 -0.110087D-02
     10  0.318651D-03 -0.548256D-02 -0.548631D-02  0.152812D-01  0.399153D-02
     11  0.264009D-03  0.553990D-02  0.554372D-02 -0.163184D-01  0.306299D-03
     12 -0.547356D-02  0.341826D-03 -0.547481D-02  0.152911D-01 -0.109366D-02
     13 -0.549568D-02 -0.547158D-02  0.337811D-03  0.153040D-01 -0.111373D-02
     14  0.399142D-02 -0.109450D-02 -0.109403D-02  0.152815D-01  0.318224D-03
     15 -0.111116D-02 -0.108778D-02  0.398816D-02  0.153038D-01 -0.549533D-02
     16 -0.109611D-02  0.399016D-02 -0.108964D-02  0.152914D-01 -0.547387D-02
     17 -0.110206D-02  0.296437D-03 -0.111095D-02 -0.163172D-01  0.555636D-02
     18 -0.110792D-02 -0.110951D-02  0.298684D-03 -0.163096D-01  0.554231D-02
     19  0.306297D-03 -0.111559D-02 -0.111286D-02 -0.163184D-01  0.264016D-03
     20  0.388488D-05 -0.299710D-02  0.299555D-02  0.233638D-05 -0.468680D-05
     21  0.555336D-03 -0.409871D-02  0.354544D-02  0.198687D-05  0.354252D-02
     22 -0.550226D-03 -0.354980D-02  0.409519D-02  0.208136D-05 -0.354864D-02
     23  0.354831D-02  0.542675D-03 -0.409820D-02  0.261822D-05  0.549658D-03
     24  0.409976D-02 -0.558941D-03 -0.354831D-02  0.226871D-05  0.409686D-02
     25  0.299420D-02 -0.100234D-04 -0.299856D-02  0.236319D-05 -0.299430D-02
     26 -0.354289D-02  0.410165D-02 -0.539292D-03  0.270500D-05 -0.555981D-03
     27 -0.299144D-02  0.300004D-02  0.105990D-04  0.235549D-05  0.299122D-02
     28 -0.409700D-02  0.354896D-02  0.560353D-03  0.244998D-05 -0.409994D-02
                6             7             8             9            10 
      6  0.338377D+00
      7  0.302013D-02  0.338347D+00
      8  0.298704D-03 -0.110829D-02  0.535999D-01
      9 -0.111213D-02  0.296439D-03  0.964483D-02  0.535961D-01
     10 -0.109151D-02 -0.109715D-02 -0.412212D-01 -0.412256D-01  0.104696D+00
     11 -0.111164D-02 -0.111682D-02  0.966489D-02  0.965629D-02  0.141397D-01
     12 -0.109216D-02  0.399024D-02 -0.412599D-01  0.141495D-01 -0.203462D-01
     13  0.398809D-02 -0.108520D-02  0.141423D-01 -0.412506D-01 -0.203280D-01
     14 -0.548669D-02 -0.548225D-02 -0.395830D-02 -0.394800D-02  0.177497D-01
     15  0.338038D-03 -0.547184D-02  0.454566D-02 -0.393195D-02 -0.731582D-02
     16 -0.547455D-02  0.341591D-03 -0.393971D-02  0.453163D-02 -0.729135D-02
     17  0.553082D-02  0.251931D-03  0.292780D-03  0.299055D-02 -0.395031D-02
     18  0.259400D-03  0.553119D-02  0.299543D-02  0.292018D-03 -0.395606D-02
     19  0.554380D-02  0.553968D-02  0.288454D-03  0.289947D-03  0.455274D-02
     20 -0.299573D-02  0.299694D-02 -0.686747D-02  0.685898D-02  0.862766D-05
     21  0.538714D-03 -0.410183D-02 -0.609772D-02  0.531871D-02  0.205933D-02
     22  0.409805D-02 -0.543464D-03 -0.532136D-02  0.609275D-02 -0.205104D-02
     23 -0.409535D-02  0.354945D-02  0.531725D-02  0.768203D-03  0.479877D-02
     24 -0.560905D-03 -0.354932D-02  0.608699D-02 -0.772063D-03  0.684947D-02
     25  0.299843D-02  0.904527D-05  0.686335D-02  0.196992D-05  0.273910D-02
     26 -0.354579D-02  0.409860D-02 -0.774001D-03 -0.532261D-02 -0.479042D-02
     27 -0.113469D-04 -0.300016D-02 -0.425830D-05 -0.686288D-02 -0.273972D-02
     28  0.354799D-02  0.558201D-03  0.772105D-03 -0.608884D-02 -0.685009D-02
               11            12            13            14            15 
     11  0.535801D-01
     12 -0.412509D-01  0.104758D+00
     13 -0.412197D-01 -0.203340D-01  0.104707D+00
     14  0.455267D-02 -0.728659D-02 -0.732058D-02  0.104695D+00
     15 -0.395533D-02 -0.726563D-02  0.177138D-01 -0.203280D-01  0.104707D+00
     16 -0.395900D-02  0.177087D-01 -0.726077D-02 -0.203457D-01 -0.203340D-01
     17  0.289117D-03  0.453172D-02 -0.392967D-02 -0.412269D-01 -0.412489D-01
     18  0.289328D-03 -0.394204D-02  0.454565D-02 -0.412193D-01  0.141422D-01
     19  0.300776D-02 -0.395666D-02 -0.395771D-02  0.141395D-01 -0.412212D-01
     20  0.231668D-05 -0.274046D-02  0.273747D-02 -0.653682D-05 -0.273719D-02
     21  0.773593D-03 -0.684303D-02  0.478849D-02  0.479026D-02  0.204832D-02
     22 -0.766708D-03 -0.479514D-02  0.684169D-02 -0.479878D-02  0.684689D-02
     23 -0.609064D-02  0.205182D-02 -0.684660D-02  0.205352D-02 -0.684147D-02
     24 -0.531936D-02 -0.205075D-02 -0.479558D-02  0.685031D-02 -0.205596D-02
     25 -0.685966D-02 -0.286335D-05 -0.274237D-02 -0.273873D-02  0.274261D-02
     26  0.608570D-02  0.684783D-02 -0.204606D-02 -0.205694D-02 -0.478854D-02
     27  0.685697D-02  0.274526D-02  0.496157D-05  0.273986D-02 -0.302932D-05
     28  0.531667D-02  0.479315D-02  0.205816D-02 -0.684918D-02  0.479554D-02
               16            17            18            19            20 
     16  0.104758D+00
     17  0.141493D-01  0.535960D-01
     18 -0.412613D-01  0.964477D-02  0.535996D-01
     19 -0.412492D-01  0.965633D-02  0.966487D-02  0.535800D-01
     20  0.274065D-02 -0.686007D-02  0.686636D-02 -0.284385D-05  0.143486D-01
     21 -0.684751D-02  0.532158D-02  0.774050D-03 -0.608729D-02  0.378173D-02
     22 -0.204975D-02 -0.768206D-03 -0.531822D-02  0.608911D-02  0.378047D-02
     23  0.479507D-02 -0.609438D-02  0.532019D-02  0.766705D-03  0.378060D-02
     24 -0.479309D-02  0.608728D-02 -0.772122D-03 -0.531774D-02 -0.678623D-02
     25  0.466581D-05 -0.250706D-05 -0.686439D-02  0.685866D-02 -0.678749D-02
     26  0.684327D-02 -0.531979D-02  0.609608D-02 -0.773615D-03  0.378151D-02
     27 -0.274489D-02  0.686186D-02  0.376550D-05 -0.685806D-02 -0.678532D-02
     28  0.205287D-02  0.772076D-03 -0.608850D-02  0.531834D-02 -0.678658D-02
               21            22            23            24            25 
     21  0.151685D-01
     22  0.419272D-02  0.151694D-01
     23 -0.719885D-02 -0.761108D-02  0.151697D-01
     24  0.418796D-02 -0.719883D-02  0.419027D-02  0.151645D-01
     25 -0.678786D-02  0.377787D-02  0.377804D-02  0.377767D-02  0.143434D-01
     26 -0.760788D-02 -0.719875D-02  0.419267D-02 -0.719672D-02 -0.678759D-02
     27  0.377893D-02 -0.678650D-02 -0.678678D-02  0.377746D-02 -0.678796D-02
     28 -0.719689D-02  0.419020D-02 -0.719902D-02 -0.760932D-02  0.377777D-02
               26            27            28 
     26  0.151682D-01
     27  0.377881D-02  0.143431D-01
     28  0.418794D-02  0.377764D-02  0.151647D-01
 Leave Link  716 at Wed Aug 30 14:10:17 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Red2BG is reusing G-inverse.
 Internal  Forces:  Max     0.000076657 RMS     0.000034096
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00231   0.04649   0.04650   0.04868   0.04870
     Eigenvalues ---    0.12426   0.12594   0.12612   0.12870   0.18091
     Eigenvalues ---    0.18096   0.30679   0.33488   0.33490   0.33749
     Eigenvalues ---    0.33751   0.34581   0.34804
 Angle between quadratic step and forces=  67.92 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00026337 RMS(Int)=  0.00000004
 Iteration  2 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000000
 ITry= 1 IFail=0 DXMaxC= 4.94D-04 DCOld= 1.00D+10 DXMaxT= 3.00D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.07165  -0.00007   0.00000  -0.00020  -0.00020   2.07144
    R2        2.07164  -0.00005   0.00000  -0.00016  -0.00016   2.07147
    R3        2.07164  -0.00006   0.00000  -0.00018  -0.00018   2.07146
    R4        2.89248  -0.00008   0.00000  -0.00021  -0.00021   2.89227
    R5        2.07165  -0.00007   0.00000  -0.00020  -0.00020   2.07144
    R6        2.07164  -0.00006   0.00000  -0.00018  -0.00018   2.07146
    R7        2.07164  -0.00005   0.00000  -0.00016  -0.00016   2.07147
    A1        1.87668   0.00001   0.00000   0.00005   0.00005   1.87673
    A2        1.87670   0.00001   0.00000  -0.00001  -0.00001   1.87670
    A3        1.94355  -0.00003   0.00000  -0.00017  -0.00017   1.94338
    A4        1.87663   0.00001   0.00000   0.00010   0.00010   1.87673
    A5        1.94345   0.00001   0.00000   0.00005   0.00005   1.94350
    A6        1.94345   0.00000   0.00000  -0.00002  -0.00002   1.94343
    A7        1.94355  -0.00003   0.00000  -0.00017  -0.00017   1.94338
    A8        1.94345   0.00000   0.00000  -0.00002  -0.00002   1.94343
    A9        1.94345   0.00001   0.00000   0.00005   0.00005   1.94350
   A10        1.87670   0.00001   0.00000  -0.00001  -0.00001   1.87670
   A11        1.87668   0.00001   0.00000   0.00005   0.00005   1.87673
   A12        1.87663   0.00001   0.00000   0.00010   0.00010   1.87673
    D1        3.14111   0.00000   0.00000   0.00048   0.00048  -3.14159
    D2       -1.04762  -0.00001   0.00000   0.00035   0.00035  -1.04727
    D3        1.04668   0.00000   0.00000   0.00050   0.00050   1.04718
    D4       -1.04765   0.00000   0.00000   0.00047   0.00047  -1.04718
    D5        1.04681  -0.00001   0.00000   0.00033   0.00033   1.04714
    D6        3.14111   0.00000   0.00000   0.00048   0.00048  -3.14159
    D7        1.04665   0.00001   0.00000   0.00062   0.00062   1.04727
    D8        3.14111   0.00000   0.00000   0.00048   0.00048  -3.14159
    D9       -1.04778   0.00001   0.00000   0.00064   0.00064  -1.04714
         Item               Value     Threshold  Converged?
 Maximum Force            0.000077     0.000450     YES
 RMS     Force            0.000034     0.000300     YES
 Maximum Displacement     0.000494     0.001800     YES
 RMS     Displacement     0.000263     0.001200     YES
 Predicted change in Energy=-5.397654D-08
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0963         -DE/DX =   -0.0001              !
 ! R2    R(1,3)                  1.0963         -DE/DX =   -0.0001              !
 ! R3    R(1,4)                  1.0963         -DE/DX =   -0.0001              !
 ! R4    R(1,5)                  1.5306         -DE/DX =   -0.0001              !
 ! R5    R(5,6)                  1.0963         -DE/DX =   -0.0001              !
 ! R6    R(5,7)                  1.0963         -DE/DX =   -0.0001              !
 ! R7    R(5,8)                  1.0963         -DE/DX =   -0.0001              !
 ! A1    A(2,1,3)              107.5257         -DE/DX =    0.0                 !
 ! A2    A(2,1,4)              107.5272         -DE/DX =    0.0                 !
 ! A3    A(2,1,5)              111.3572         -DE/DX =    0.0                 !
 ! A4    A(3,1,4)              107.5231         -DE/DX =    0.0                 !
 ! A5    A(3,1,5)              111.3512         -DE/DX =    0.0                 !
 ! A6    A(4,1,5)              111.3514         -DE/DX =    0.0                 !
 ! A7    A(1,5,6)              111.3572         -DE/DX =    0.0                 !
 ! A8    A(1,5,7)              111.3514         -DE/DX =    0.0                 !
 ! A9    A(1,5,8)              111.3512         -DE/DX =    0.0                 !
 ! A10   A(6,5,7)              107.5272         -DE/DX =    0.0                 !
 ! A11   A(6,5,8)              107.5257         -DE/DX =    0.0                 !
 ! A12   A(7,5,8)              107.5231         -DE/DX =    0.0                 !
 ! D1    D(2,1,5,6)           -180.0278         -DE/DX =    0.0                 !
 ! D2    D(2,1,5,7)            -60.024          -DE/DX =    0.0                 !
 ! D3    D(2,1,5,8)             59.9705         -DE/DX =    0.0                 !
 ! D4    D(3,1,5,6)            -60.0261         -DE/DX =    0.0                 !
 ! D5    D(3,1,5,7)             59.9777         -DE/DX =    0.0                 !
 ! D6    D(3,1,5,8)           -180.0277         -DE/DX =    0.0                 !
 ! D7    D(4,1,5,6)             59.9685         -DE/DX =    0.0                 !
 ! D8    D(4,1,5,7)           -180.0278         -DE/DX =    0.0                 !
 ! D9    D(4,1,5,8)            -60.0332         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Aug 30 14:10:17 2017, MaxMem=    33554432 cpu:         0.0
 (Enter /usr/local/gaussian/g09/l9999.exe)
 1\1\GINC-COMP0212\Freq\RB3LYP\6-31G(d)\C2H6\RPATON\30-Aug-2017\0\\#P G
 eom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq\\opt 
 freq\\0,1\C,-1.28603236,1.0912305794,-0.0038341416\H,-0.9371928406,0.0
 524253709,0.0277494184\H,-0.9383989766,1.5841820884,0.9115578865\H,-2.
 3817046641,1.0726428583,0.0269799219\C,-0.7758351067,1.8128268986,-1.2
 535709642\H,-1.1250782773,2.8514889933,-1.2854018512\H,0.319836766,1.8
 318430546,-1.2841377817\H,-1.1230645406,1.3195901565,-2.1689624881\\Ve
 rsion=EM64L-G09RevD.01\State=1-A\HF=-79.8304209\RMSD=1.902e-10\RMSF=3.
 385e-05\ZeroPoint=0.0752382\Thermal=0.0787067\Dipole=0.,0.,0.\DipoleDe
 riv=0.1142337,-0.0052988,0.0091934,-0.0052893,0.1104779,0.0129726,0.00
 92115,0.0130975,0.0955095,0.0333397,0.067865,0.0086943,0.0549433,-0.16
 44359,0.0417764,0.0161712,0.0205852,0.0243712,0.0335091,-0.0414551,-0.
 0541954,-0.0414314,0.0040303,-0.0768852,-0.0392628,-0.0558318,-0.14428
 15,-0.1810825,-0.0211269,0.0362984,-0.0082067,0.0499277,0.0221428,0.01
 38894,0.0221424,0.0244008,0.1142336,-0.0052706,0.0092095,-0.0053174,0.
 1104777,0.0129609,0.0091952,0.0131093,0.0955093,0.0332863,0.0679344,0.
 0086662,0.0550007,-0.164384,0.0418133,0.0161692,0.0206387,0.0243729,-0
 .1810823,-0.0212034,0.0362544,-0.0082952,0.0499292,0.0221569,0.0138384
 ,0.0221262,0.024399,0.0335624,-0.0414445,-0.0541208,-0.0414041,0.00397
 71,-0.0769376,-0.039212,-0.0558676,-0.1442812\Polar=22.588204,0.238764
 3,22.7580444,-0.4139942,-0.5856577,23.4332202\PG=C01 [X(C2H6)]\NImag=0
 \\0.56467236,-0.01452260,0.55431623,0.02519022,0.03560433,0.51316640,-
 0.07832636,0.08091464,-0.00204567,0.07978970,0.08053901,-0.28378451,0.
 00325242,-0.08822522,0.30815927,-0.00184603,0.00271895,-0.04946912,-0.
 00005615,-0.00624653,0.05221120,-0.07811667,-0.03861764,-0.07083643,0.
 00353985,0.00501017,0.01064588,0.07955674,-0.03860869,-0.10561921,-0.1
 0037482,-0.01169699,-0.01380332,-0.02629507,0.04411439,0.11097964,-0.0
 7044739,-0.09984220,-0.22779679,0.00098954,0.00011916,0.00133361,0.076
 09941,0.10786306,0.24959033,-0.31170428,-0.00228253,0.00356073,-0.0097
 7602,0.00003568,-0.00036322,-0.00974062,0.00029151,-0.00022742,0.33824
 550,-0.00195676,-0.05041077,-0.00080903,0.03274264,0.00185387,-0.00007
 670,-0.01642202,-0.00050588,0.00096142,0.00351637,0.04971868,0.0030170
 5,-0.00081542,-0.04943141,0.00001901,-0.00036963,-0.00100117,-0.028336
 15,0.00123888,0.00131938,-0.00566447,-0.00217840,0.05218156,-0.0951749
 5,-0.01901099,0.03294353,0.00402851,0.00450323,-0.01003658,0.00401507,
 0.00641492,-0.00887277,-0.00939370,-0.01735424,0.03005434,0.56467248,-
 0.01901717,-0.10855299,0.04650182,-0.01262991,-0.01395513,0.02835700,0
 .00642389,0.00856689,-0.01257082,-0.00027261,-0.00056038,0.00004460,-0
 .01452254,0.55431492,0.03294002,0.04650435,-0.16227612,-0.00012587,0.0
 0044745,-0.00057724,0.01086024,0.01535745,-0.02306721,0.00045451,0.000
 01930,-0.00054818,0.02518947,0.03560503,0.51316455,0.00403151,-0.01263
 282,-0.00012181,0.00003487,-0.00155451,0.00249666,0.00015361,0.0005747
 1,-0.00050676,0.00055638,-0.00012723,-0.00076871,-0.07838844,0.0809986
 7,-0.00206814,0.07986125,0.00450566,-0.01395577,0.00044978,-0.00155317
 ,0.00031386,0.00293885,0.00015626,0.00086272,0.00021287,-0.00046519,0.
 00035286,-0.00035347,0.08061968,-0.28371763,0.00330704,-0.08831322,0.3
 0808737,-0.01004286,0.02835244,-0.00057983,0.00249502,0.00293744,-0.00
 475960,-0.00076505,-0.00055728,0.00107292,-0.00007558,-0.00083973,0.00
 118927,-0.00186815,0.00277594,-0.04947235,-0.00003452,-0.00630806,0.05
 221023,-0.00939371,-0.00027395,0.00045376,0.00055460,-0.00046504,-0.00
 007499,0.00055686,0.00029634,0.00037373,0.00125770,-0.00112033,0.00194
 075,-0.31170425,-0.00238517,0.00350164,-0.00978918,0.00003100,-0.00036
 519,0.33824544,-0.01735023,-0.00056280,0.00001475,-0.00012678,0.000351
 25,-0.00083950,0.00072189,0.00046295,-0.00041240,-0.00111899,-0.000909
 85,0.00333289,-0.00206263,-0.05041515,-0.00080601,0.03273791,0.0018670
 5,-0.00006949,0.00362972,0.04971861,0.03005659,0.00005199,-0.00054577,
 -0.00076862,-0.00035282,0.00118720,-0.00026154,-0.00089975,0.00105357,
 0.00194153,0.00333490,-0.00476082,0.00295620,-0.00081373,-0.04942729,0
 .00001151,-0.00037015,-0.00100122,-0.00559928,-0.00217809,0.05218188,0
 .00401209,0.00642589,0.01085567,0.00015485,0.00015668,-0.00076556,0.00
 003516,-0.00138619,0.00259165,0.00055504,0.00072156,-0.00026182,-0.078
 05472,-0.03859516,-0.07075187,0.00353999,0.00501898,0.01065633,-0.0097
 2747,-0.01643090,-0.02833639,0.07948507,0.00641077,0.00856983,0.015360
 74,0.00057480,0.00086471,-0.00055699,-0.00138694,-0.00094379,0.0036689
 2,0.00029576,0.00046146,-0.00089944,-0.03858743,-0.10568052,-0.1004346
 2,-0.01168353,-0.01381046,-0.02629126,0.00028743,-0.00051206,0.0012276
 4,0.04408914,0.11105083,-0.00886760,-0.01257444,-0.02306735,-0.0005072
 5,0.00021250,0.00107512,0.00259363,0.00366752,-0.00350581,0.00037393,-
 0.00041175,0.00105136,-0.07036603,-0.09989984,-0.22779616,0.00099176,0
 .00012314,0.00134057,-0.00023042,0.00095785,0.00131244,0.07601198,0.10
 792502,0.24958984\\0.00000925,-0.00001263,-0.00002304,0.00001833,-0.00
 006806,0.00002758,0.00001170,0.00003359,0.00004498,-0.00006156,0.00000
 374,0.00001023,-0.00000925,0.00001252,0.00002294,-0.00002123,0.0000671
 0,-0.00002935,0.00006158,-0.00000070,-0.00000847,-0.00000882,-0.000035
 56,-0.00004487\\\@


 ALL MEN WHO EXPLORE
 DEPLORE
 THAT FRUSTRATING HURDLE
 THE GIRDLE.

         -- COLIN FLETCHER
 File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Wed Aug 30 14:10:17 2017.