Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16
 Initial command:
 /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/241143/Gau-58046.inp" -scrdir="/scratch/webmo-1704971/241143/"
 Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID=     58047.
  
 Copyright (c) 1988-2019, Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
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 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
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 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.),
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 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 16, Revision C.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevC.01  3-Jul-2019
                 8-Apr-2025 
 ******************************************
 -------------------------------
 #N B3LYP/6-311+G(2d,p) OPT FREQ
 -------------------------------
 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=4,6=6,7=112,11=2,25=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;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=4,6=6,7=112,11=2,25=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;
 1/18=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;
 ---
 CS2
 ---
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C
 S                    1    B1
 S                    1    B2       2    A1
       Variables:
  B1                    1.5215                   
  B2                    1.5215                   
  A1                  180.                       
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.5215         estimate D2E/DX2                !
 ! R2    R(1,3)                  1.5215         estimate D2E/DX2                !
 ! A1    L(2,1,3,-1,-1)        180.0            estimate D2E/DX2                !
 ! A2    L(2,1,3,-2,-2)        180.0            estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=     20 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.521500
      3         16           0        0.000000    0.000000   -1.521500
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  C    0.000000
     2  S    1.521500   0.000000
     3  S    1.521500   3.043000   0.000000
 Stoichiometry    CS2
 Framework group  D*H[O(C),C*(S.S)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.521500
      3         16           0        0.000000    0.000000   -1.521500
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000           3.4140707           3.4140707
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    30 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B2G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     2 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    23 symmetry adapted cartesian basis functions of B1U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B2U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B3U symmetry.
 There are    26 symmetry adapted basis functions of AG  symmetry.
 There are     4 symmetry adapted basis functions of B1G symmetry.
 There are    10 symmetry adapted basis functions of B2G symmetry.
 There are    10 symmetry adapted basis functions of B3G symmetry.
 There are     2 symmetry adapted basis functions of AU  symmetry.
 There are    21 symmetry adapted basis functions of B1U symmetry.
 There are    12 symmetry adapted basis functions of B2U symmetry.
 There are    12 symmetry adapted basis functions of B3U symmetry.
    97 basis functions,   154 primitive gaussians,   103 cartesian basis functions
    19 alpha electrons       19 beta electrons
       nuclear repulsion energy       111.2958971373 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+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.
 One-electron integrals computed using PRISM.
 NBasis=    97 RedAO= T EigKep=  9.56D-05  NBF=    26     4    10    10     2    21    12    12
 NBsUse=    97 1.00D-06 EigRej= -1.00D+00 NBFU=    26     4    10    10     2    21    12    12
 ExpMin= 4.05D-02 ExpMax= 9.34D+04 ExpMxC= 3.17D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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.
 Initial guess orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (PIU) (PIU) (DLTG) (DLTG) (SGG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (DLTU) (DLTU) (SGU) (DLTG) (DLTG) (PIG) (PIG)
                 (SGU) (PIU) (PIU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (SGU) (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 The electronic state of the initial guess is 1-SGG.
 Keep R1 ints in memory in symmetry-blocked form, NReq=12831210.
 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.
 SCF Done:  E(RB3LYP) =  -834.554875671     A.U. after    9 cycles
            NFock=  9  Conv=0.44D-08     -V/T= 2.0012

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (PIG)
                 (PIG) (SGU) (SGG) (PIU) (PIU) (SGG) (SGU) (SGU)
                 (PIU) (PIU) (PIG) (PIG) (SGG) (DLTG) (DLTG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (DLTU) (DLTU) (SGU) (DLTG) (DLTG) (PIG) (PIG)
                 (SGU) (PIU) (PIU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (PIG) (PIG) (SGU) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues --  -88.87799 -88.87799 -10.28771  -7.96706  -7.96704
 Alpha  occ. eigenvalues --   -5.92932  -5.92931  -5.92461  -5.92461  -5.92461
 Alpha  occ. eigenvalues --   -5.92461  -0.87645  -0.78476  -0.51069  -0.43873
 Alpha  occ. eigenvalues --   -0.40129  -0.40129  -0.27927  -0.27927
 Alpha virt. eigenvalues --   -0.07537  -0.07537   0.00017   0.02656   0.02738
 Alpha virt. eigenvalues --    0.04828   0.04828   0.07242   0.07242   0.07622
 Alpha virt. eigenvalues --    0.10711   0.13678   0.13678   0.15597   0.15878
 Alpha virt. eigenvalues --    0.21855   0.30472   0.30472   0.31071   0.31071
 Alpha virt. eigenvalues --    0.31562   0.33381   0.33381   0.38351   0.38351
 Alpha virt. eigenvalues --    0.40087   0.40087   0.42011   0.51086   0.55824
 Alpha virt. eigenvalues --    0.55824   0.66417   0.68875   0.68875   0.74254
 Alpha virt. eigenvalues --    0.74254   0.78846   0.80996   0.93261   1.06672
 Alpha virt. eigenvalues --    1.26334   1.26334   1.57661   1.65328   1.65328
 Alpha virt. eigenvalues --    1.69576   1.69576   1.90684   2.08739   2.08739
 Alpha virt. eigenvalues --    2.10210   2.12117   2.12117   2.13320   2.13320
 Alpha virt. eigenvalues --    2.27706   2.29457   2.29457   2.53227   2.70985
 Alpha virt. eigenvalues --    2.70985   3.20283   3.20283   3.41539   3.41539
 Alpha virt. eigenvalues --    3.44929   3.59976   7.98905   8.26122  17.27166
 Alpha virt. eigenvalues --   17.27166  17.29273  17.29273  17.59013  17.75144
 Alpha virt. eigenvalues --   23.46201 189.16310 189.55501
          Condensed to atoms (all electrons):
               1          2          3
     1  C    5.164716   0.123780   0.123780
     2  S    0.123780  16.793766  -0.623684
     3  S    0.123780  -0.623684  16.793766
 Mulliken charges:
               1
     1  C    0.587725
     2  S   -0.293862
     3  S   -0.293862
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.587725
     2  S   -0.293862
     3  S   -0.293862
 Electronic spatial extent (au):  <R**2>=            332.6192
 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=            -31.4495   YY=            -31.4495   ZZ=            -28.6697
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.9266   YY=             -0.9266   ZZ=              1.8532
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=             -0.0000  ZZZ=             -0.0000  XYY=             -0.0000
  XXY=              0.0000  XXZ=             -0.0000  XZZ=             -0.0000  YZZ=              0.0000
  YYZ=             -0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -41.4025 YYYY=            -41.4025 ZZZZ=           -359.1104 XXXY=             -0.0000
 XXXZ=              0.0000 YYYX=             -0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=            -13.8008 XXZZ=            -73.7747 YYZZ=            -73.7747
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 1.112958971373D+02 E-N=-2.205604474803D+03  KE= 8.335195882997D+02
 Symmetry AG   KE= 3.554649491408D+02
 Symmetry B1G  KE= 1.460357535808D-33
 Symmetry B2G  KE= 3.904982347022D+01
 Symmetry B3G  KE= 3.904982347022D+01
 Symmetry AU   KE= 2.663755772621D-34
 Symmetry B1U  KE= 3.237371356189D+02
 Symmetry B2U  KE= 3.810892829977D+01
 Symmetry B3U  KE= 3.810892829977D+01
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000   -0.000000000
      2       16          -0.000000000   -0.000000000    0.041308874
      3       16          -0.000000000   -0.000000000   -0.041308874
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.041308874 RMS     0.019473190

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.041308874 RMS     0.029209785
 Search for a local minimum.
 Step number   1 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 The second derivative matrix:
                          R1        R2        A1        A2
           R1           0.69975
           R2           0.00000   0.69975
           A1           0.00000   0.00000   0.04054
           A2           0.00000   0.00000   0.00000   0.04054
 ITU=  0
     Eigenvalues ---    0.04054   0.04054   0.69975   0.69975
 RFO step:  Lambda=-4.84368095D-03 EMin= 4.05432257D-02
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.04145597 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000001
 ClnCor:  largest displacement from symmetrization is 2.91D-08 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.87522   0.04131   0.00000   0.05863   0.05863   2.93385
    R2        2.87522   0.04131   0.00000   0.05863   0.05863   2.93385
    A1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.041309     0.000450     NO 
 RMS     Force            0.029210     0.000300     NO 
 Maximum Displacement     0.058628     0.001800     NO 
 RMS     Displacement     0.041456     0.001200     NO 
 Predicted change in Energy=-2.438488D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.552524
      3         16           0        0.000000    0.000000   -1.552524
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  C    0.000000
     2  S    1.552524   0.000000
     3  S    1.552524   3.105049   0.000000
 Stoichiometry    CS2
 Framework group  D*H[O(C),C*(S.S)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.552524
      3         16           0        0.000000    0.000000   -1.552524
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000           3.2789860           3.2789860
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    30 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B2G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     2 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    23 symmetry adapted cartesian basis functions of B1U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B2U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B3U symmetry.
 There are    26 symmetry adapted basis functions of AG  symmetry.
 There are     4 symmetry adapted basis functions of B1G symmetry.
 There are    10 symmetry adapted basis functions of B2G symmetry.
 There are    10 symmetry adapted basis functions of B3G symmetry.
 There are     2 symmetry adapted basis functions of AU  symmetry.
 There are    21 symmetry adapted basis functions of B1U symmetry.
 There are    12 symmetry adapted basis functions of B2U symmetry.
 There are    12 symmetry adapted basis functions of B3U symmetry.
    97 basis functions,   154 primitive gaussians,   103 cartesian basis functions
    19 alpha electrons       19 beta electrons
       nuclear repulsion energy       109.0718505034 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+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.
 One-electron integrals computed using PRISM.
 NBasis=    97 RedAO= T EigKep=  1.03D-04  NBF=    26     4    10    10     2    21    12    12
 NBsUse=    97 1.00D-06 EigRej= -1.00D+00 NBFU=    26     4    10    10     2    21    12    12
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/241143/Gau-58047.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (PIG)
                 (PIG) (SGU) (SGG) (PIU) (PIU) (SGG) (SGU) (SGU)
                 (PIU) (PIU) (PIG) (PIG) (SGG) (DLTG) (DLTG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (DLTU) (DLTU) (SGU) (DLTG) (DLTG) (PIG) (PIG)
                 (SGU) (PIU) (PIU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (PIG) (PIG) (SGU) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 ExpMin= 4.05D-02 ExpMax= 9.34D+04 ExpMxC= 3.17D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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.
 Keep R1 ints in memory in symmetry-blocked form, NReq=12831210.
 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.
 SCF Done:  E(RB3LYP) =  -834.557574549     A.U. after    9 cycles
            NFock=  9  Conv=0.16D-08     -V/T= 2.0015
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000   -0.000000000
      2       16          -0.000000000   -0.000000000    0.005740406
      3       16          -0.000000000   -0.000000000   -0.005740406
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005740406 RMS     0.002706053

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005740406 RMS     0.004059080
 Search for a local minimum.
 Step number   2 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -2.70D-03 DEPred=-2.44D-03 R= 1.11D+00
 TightC=F SS=  1.41D+00  RLast= 8.29D-02 DXNew= 5.0454D-01 2.4874D-01
 Trust test= 1.11D+00 RLast= 8.29D-02 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1        R2        A1        A2
           R1           0.65322
           R2          -0.04653   0.65322
           A1           0.00000   0.00000   0.04054
           A2          -0.00000  -0.00000  -0.00000   0.04054
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.04054   0.04054   0.60668   0.69975
 RFO step:  Lambda= 0.00000000D+00 EMin= 4.05432257D-02
 Quartic linear search produced a step of  0.17912.
 Iteration  1 RMS(Cart)=  0.00742563 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 8.02D-13 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.93385   0.00574   0.01050   0.00000   0.01050   2.94435
    R2        2.93385   0.00574   0.01050  -0.00000   0.01050   2.94435
    A1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.005740     0.000450     NO 
 RMS     Force            0.004059     0.000300     NO 
 Maximum Displacement     0.010501     0.001800     NO 
 RMS     Displacement     0.007426     0.001200     NO 
 Predicted change in Energy=-5.365972D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000   -0.000000
      2         16           0        0.000000    0.000000    1.558082
      3         16           0        0.000000    0.000000   -1.558082
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  C    0.000000
     2  S    1.558082   0.000000
     3  S    1.558082   3.116163   0.000000
 Stoichiometry    CS2
 Framework group  D*H[O(C),C*(S.S)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.558082
      3         16           0        0.000000    0.000000   -1.558082
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000           3.2556378           3.2556378
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    30 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B2G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     2 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    23 symmetry adapted cartesian basis functions of B1U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B2U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B3U symmetry.
 There are    26 symmetry adapted basis functions of AG  symmetry.
 There are     4 symmetry adapted basis functions of B1G symmetry.
 There are    10 symmetry adapted basis functions of B2G symmetry.
 There are    10 symmetry adapted basis functions of B3G symmetry.
 There are     2 symmetry adapted basis functions of AU  symmetry.
 There are    21 symmetry adapted basis functions of B1U symmetry.
 There are    12 symmetry adapted basis functions of B2U symmetry.
 There are    12 symmetry adapted basis functions of B3U symmetry.
    97 basis functions,   154 primitive gaussians,   103 cartesian basis functions
    19 alpha electrons       19 beta electrons
       nuclear repulsion energy       108.6828302454 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+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.
 One-electron integrals computed using PRISM.
 NBasis=    97 RedAO= T EigKep=  1.04D-04  NBF=    26     4    10    10     2    21    12    12
 NBsUse=    97 1.00D-06 EigRej= -1.00D+00 NBFU=    26     4    10    10     2    21    12    12
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/241143/Gau-58047.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (PIG)
                 (PIG) (SGU) (SGG) (PIU) (PIU) (SGU) (SGG) (SGU)
                 (PIU) (PIU) (SGG) (PIG) (PIG) (DLTG) (DLTG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (SGU) (DLTU) (DLTU) (DLTG) (DLTG) (PIG) (PIG)
                 (PIU) (PIU) (SGU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (SGU) (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=12831210.
 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.
 SCF Done:  E(RB3LYP) =  -834.557634425     A.U. after    8 cycles
            NFock=  8  Conv=0.34D-08     -V/T= 2.0015
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000   -0.000000000
      2       16          -0.000000000   -0.000000000   -0.000008958
      3       16          -0.000000000   -0.000000000    0.000008958
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008958 RMS     0.000004223

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000008958 RMS     0.000006334
 Search for a local minimum.
 Step number   3 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    1    2    3
 DE= -5.99D-05 DEPred=-5.37D-05 R= 1.12D+00
 TightC=F SS=  1.41D+00  RLast= 1.49D-02 DXNew= 5.0454D-01 4.4554D-02
 Trust test= 1.12D+00 RLast= 1.49D-02 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1        R2        A1        A2
           R1           0.62362
           R2          -0.07614   0.62362
           A1           0.00000   0.00000   0.04054
           A2          -0.00000  -0.00000  -0.00000   0.04054
 ITU=  1  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.04054   0.04054   0.54748   0.69975
 RFO step:  Lambda= 0.00000000D+00 EMin= 4.05432257D-02
 Quartic linear search produced a step of -0.00158.
 Iteration  1 RMS(Cart)=  0.00001175 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 8.04D-13 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.94435  -0.00001  -0.00002   0.00000  -0.00002   2.94433
    R2        2.94435  -0.00001  -0.00002  -0.00000  -0.00002   2.94433
    A1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000009     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.000017     0.001800     YES
 RMS     Displacement     0.000012     0.001200     YES
 Predicted change in Energy=-1.465248D-10
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.5581         -DE/DX =    0.0                 !
 ! R2    R(1,3)                  1.5581         -DE/DX =    0.0                 !
 ! A1    L(2,1,3,-1,-1)        180.0            -DE/DX =    0.0                 !
 ! A2    L(2,1,3,-2,-2)        180.0            -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.558082
      3         16           0        0.000000    0.000000   -1.558082
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  C    0.000000
     2  S    1.558082   0.000000
     3  S    1.558082   3.116163   0.000000
 Stoichiometry    CS2
 Framework group  D*H[O(C),C*(S.S)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.558082
      3         16           0        0.000000    0.000000   -1.558082
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000           3.2556378           3.2556378

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (PIG)
                 (PIG) (SGU) (SGG) (PIU) (PIU) (SGU) (SGG) (SGU)
                 (PIU) (PIU) (SGG) (PIG) (PIG) (DLTG) (DLTG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (SGU) (DLTU) (DLTU) (DLTG) (DLTG) (PIG) (PIG)
                 (PIU) (PIU) (SGU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (SGU) (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues --  -88.88405 -88.88405 -10.29876  -7.97125  -7.97123
 Alpha  occ. eigenvalues --   -5.93379  -5.93378  -5.92887  -5.92887  -5.92887
 Alpha  occ. eigenvalues --   -5.92887  -0.86594  -0.77795  -0.51540  -0.43814
 Alpha  occ. eigenvalues --   -0.39393  -0.39393  -0.28029  -0.28029
 Alpha virt. eigenvalues --   -0.08224  -0.08224  -0.00014   0.01937   0.02672
 Alpha virt. eigenvalues --    0.04784   0.04784   0.07245   0.07245   0.07381
 Alpha virt. eigenvalues --    0.09481   0.13597   0.13597   0.15535   0.15809
 Alpha virt. eigenvalues --    0.21881   0.30419   0.30419   0.31032   0.31176
 Alpha virt. eigenvalues --    0.31176   0.33647   0.33647   0.38249   0.38249
 Alpha virt. eigenvalues --    0.39328   0.39328   0.41180   0.50057   0.54635
 Alpha virt. eigenvalues --    0.54635   0.67975   0.68060   0.68060   0.73353
 Alpha virt. eigenvalues --    0.73353   0.78690   0.80030   0.90197   1.02346
 Alpha virt. eigenvalues --    1.23307   1.23307   1.57438   1.64773   1.64773
 Alpha virt. eigenvalues --    1.70193   1.70193   1.88181   2.07725   2.08479
 Alpha virt. eigenvalues --    2.08479   2.11804   2.11804   2.13806   2.13806
 Alpha virt. eigenvalues --    2.28573   2.28573   2.34632   2.53312   2.69732
 Alpha virt. eigenvalues --    2.69732   3.19994   3.19994   3.37602   3.40789
 Alpha virt. eigenvalues --    3.40789   3.59230   7.94179   8.24906  17.26397
 Alpha virt. eigenvalues --   17.26397  17.29005  17.29005  17.53875  17.75316
 Alpha virt. eigenvalues --   23.40935 189.10896 189.52567
          Condensed to atoms (all electrons):
               1          2          3
     1  C    5.102536   0.154002   0.154002
     2  S    0.154002  16.705044  -0.564317
     3  S    0.154002  -0.564317  16.705044
 Mulliken charges:
               1
     1  C    0.589460
     2  S   -0.294730
     3  S   -0.294730
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589460
     2  S   -0.294730
     3  S   -0.294730
 Electronic spatial extent (au):  <R**2>=            345.6760
 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=            -31.6767   YY=            -31.6767   ZZ=            -28.4616
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.0717   YY=             -1.0717   ZZ=              2.1434
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=             -0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=             -0.0000  YZZ=             -0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -42.0000 YYYY=            -42.0000 ZZZZ=           -372.5221 XXXY=             -0.0000
 XXXZ=              0.0000 YYYX=             -0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=            -14.0000 XXZZ=            -76.8984 YYZZ=            -76.8984
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 1.086828302454D+02 E-N=-2.200113412417D+03  KE= 8.332859677205D+02
 Symmetry AG   KE= 3.553938592548D+02
 Symmetry B1G  KE= 1.327645409303D-33
 Symmetry B2G  KE= 3.903792382721D+01
 Symmetry B3G  KE= 3.903792382721D+01
 Symmetry AU   KE= 2.421271513244D-34
 Symmetry B1U  KE= 3.236182915297D+02
 Symmetry B2U  KE= 3.809898464079D+01
 Symmetry B3U  KE= 3.809898464079D+01
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Final structure in terms of initial Z-matrix:
 C
 S,1,B1
 S,1,B2,2,A1
      Variables:
 B1=1.5580815
 B2=1.5580815
 A1=179.99999879
 Unable to Open any file for archive entry.
 1\1\GINC-COMPUTE-0-0\FOpt\RB3LYP\6-311+G(2d,p)\C1S2\ESSELMAN\08-Apr-20
 25\0\\#N B3LYP/6-311+G(2d,p) OPT FREQ\\CS2\\0,1\C,0.0000000134,0.,0.\S
 ,0.0000000134,0.,1.558081503\S,0.0000000134,0.,-1.558081503\\Version=E
 S64L-G16RevC.01\State=1-SGG\HF=-834.5576344\RMSD=3.359e-09\RMSF=4.223e
 -06\Dipole=0.,0.,0.\Quadrupole=-0.7967683,-0.7967683,1.5935366,0.,0.,0
 .\PG=D*H [O(C1),C*(S1.S1)]\\@
 The archive entry for this job was punched.


 REVOLUTIONS HAVE NEVER LIGHTENED THE BURDEN OF TYRANNY:
 THEY HAVE MERELY SHIFTED IT TO OTHER SHOULDERS.
                                   -- G. B. SHAW (1903)
 Job cpu time:       0 days  0 hours  0 minutes 11.1 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 11.0 seconds.
 File lengths (MBytes):  RWF=     10 Int=      0 D2E=      0 Chk=      2 Scr=      1
 Normal termination of Gaussian 16 at Tue Apr  8 17:36:01 2025.
 Link1:  Proceeding to internal job step number  2.
 ----------------------------------------------------------------------
 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(2d,p) F
 req
 ----------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=4,6=6,7=112,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=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=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Structure from the checkpoint file:  "/scratch/webmo-1704971/241143/Gau-58047.chk"
 ---
 CS2
 ---
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 C,0,0.0000000134,0.,0.
 S,0,0.0000000134,0.,1.558081503
 S,0,0.0000000134,0.,-1.558081503
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.5581         calculate D2E/DX2 analytically  !
 ! R2    R(1,3)                  1.5581         calculate D2E/DX2 analytically  !
 ! A1    L(2,1,3,-1,-1)        180.0            calculate D2E/DX2 analytically  !
 ! A2    L(2,1,3,-2,-2)        180.0            calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.558082
      3         16           0        0.000000    0.000000   -1.558082
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  C    0.000000
     2  S    1.558082   0.000000
     3  S    1.558082   3.116163   0.000000
 Stoichiometry    CS2
 Framework group  D*H[O(C),C*(S.S)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2         16           0        0.000000    0.000000    1.558082
      3         16           0        0.000000    0.000000   -1.558082
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000           3.2556378           3.2556378
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    30 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B2G symmetry.
 There are    10 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     2 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    23 symmetry adapted cartesian basis functions of B1U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B2U symmetry.
 There are    12 symmetry adapted cartesian basis functions of B3U symmetry.
 There are    26 symmetry adapted basis functions of AG  symmetry.
 There are     4 symmetry adapted basis functions of B1G symmetry.
 There are    10 symmetry adapted basis functions of B2G symmetry.
 There are    10 symmetry adapted basis functions of B3G symmetry.
 There are     2 symmetry adapted basis functions of AU  symmetry.
 There are    21 symmetry adapted basis functions of B1U symmetry.
 There are    12 symmetry adapted basis functions of B2U symmetry.
 There are    12 symmetry adapted basis functions of B3U symmetry.
    97 basis functions,   154 primitive gaussians,   103 cartesian basis functions
    19 alpha electrons       19 beta electrons
       nuclear repulsion energy       108.6828302454 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+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.
 One-electron integrals computed using PRISM.
 NBasis=    97 RedAO= T EigKep=  1.04D-04  NBF=    26     4    10    10     2    21    12    12
 NBsUse=    97 1.00D-06 EigRej= -1.00D+00 NBFU=    26     4    10    10     2    21    12    12
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/241143/Gau-58047.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (PIG)
                 (PIG) (SGU) (SGG) (PIU) (PIU) (SGU) (SGG) (SGU)
                 (PIU) (PIU) (SGG) (PIG) (PIG) (DLTG) (DLTG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (SGU) (DLTU) (DLTU) (DLTG) (DLTG) (PIG) (PIG)
                 (PIU) (PIU) (SGU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (SGU) (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=12831210.
 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.
 SCF Done:  E(RB3LYP) =  -834.557634425     A.U. after    1 cycles
            NFock=  1  Conv=0.65D-09     -V/T= 2.0015
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1    97
 NBasis=    97 NAE=    19 NBE=    19 NFC=     0 NFV=     0
 NROrb=     97 NOA=    19 NOB=    19 NVA=    78 NVB=    78

 **** Warning!!: The largest alpha MO coefficient is  0.33771665D+02

 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do     4 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 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.
          IDoAtm=111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 Keep R1 ints in memory in symmetry-blocked form, NReq=12832873.
          There are     9 degrees of freedom in the 1st order CPHF.  IDoFFX=4 NUNeed=     9.
      9 vectors produced by pass  0 Test12= 1.65D-14 1.11D-08 XBig12= 2.70D+02 1.13D+01.
 AX will form     9 AO Fock derivatives at one time.
      9 vectors produced by pass  1 Test12= 1.65D-14 1.11D-08 XBig12= 1.11D+02 3.81D+00.
      9 vectors produced by pass  2 Test12= 1.65D-14 1.11D-08 XBig12= 1.41D+00 2.92D-01.
      9 vectors produced by pass  3 Test12= 1.65D-14 1.11D-08 XBig12= 1.04D-02 2.61D-02.
      9 vectors produced by pass  4 Test12= 1.65D-14 1.11D-08 XBig12= 7.44D-05 2.25D-03.
      9 vectors produced by pass  5 Test12= 1.65D-14 1.11D-08 XBig12= 2.54D-07 1.58D-04.
      7 vectors produced by pass  6 Test12= 1.65D-14 1.11D-08 XBig12= 2.80D-09 1.43D-05.
      2 vectors produced by pass  7 Test12= 1.65D-14 1.11D-08 XBig12= 6.05D-11 2.77D-06.
      1 vectors produced by pass  8 Test12= 1.65D-14 1.11D-08 XBig12= 1.43D-13 9.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-15
 Solved reduced A of dimension    64 with     9 vectors.
 Isotropic polarizability for W=    0.000000       50.56 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.

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGG) (SGU) (SGU) (SGG) (PIG)
                 (PIG) (PIU) (PIU) (SGG) (SGU) (SGG) (SGU) (PIU)
                 (PIU) (PIG) (PIG)
       Virtual   (PIU) (PIU) (SGG) (SGG) (SGU) (PIU) (PIU) (PIG)
                 (PIG) (SGU) (SGG) (PIU) (PIU) (SGU) (SGG) (SGU)
                 (PIU) (PIU) (SGG) (PIG) (PIG) (DLTG) (DLTG) (DLTU)
                 (DLTU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (SGU) (SGG) (SGU)
                 (PIG) (PIG) (SGG) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (SGU) (DLTU) (DLTU) (DLTG) (DLTG) (PIG) (PIG)
                 (PIU) (PIU) (SGU) (SGG) (PIU) (PIU) (DLTG) (DLTG)
                 (SGU) (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (SGU) (SGG)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues --  -88.88405 -88.88405 -10.29876  -7.97125  -7.97123
 Alpha  occ. eigenvalues --   -5.93379  -5.93378  -5.92887  -5.92887  -5.92887
 Alpha  occ. eigenvalues --   -5.92887  -0.86594  -0.77795  -0.51540  -0.43814
 Alpha  occ. eigenvalues --   -0.39393  -0.39393  -0.28029  -0.28029
 Alpha virt. eigenvalues --   -0.08224  -0.08224  -0.00014   0.01937   0.02672
 Alpha virt. eigenvalues --    0.04784   0.04784   0.07245   0.07245   0.07381
 Alpha virt. eigenvalues --    0.09481   0.13597   0.13597   0.15535   0.15809
 Alpha virt. eigenvalues --    0.21881   0.30419   0.30419   0.31032   0.31176
 Alpha virt. eigenvalues --    0.31176   0.33647   0.33647   0.38249   0.38249
 Alpha virt. eigenvalues --    0.39328   0.39328   0.41180   0.50057   0.54635
 Alpha virt. eigenvalues --    0.54635   0.67975   0.68060   0.68060   0.73353
 Alpha virt. eigenvalues --    0.73353   0.78690   0.80030   0.90197   1.02346
 Alpha virt. eigenvalues --    1.23307   1.23307   1.57438   1.64773   1.64773
 Alpha virt. eigenvalues --    1.70193   1.70193   1.88181   2.07725   2.08479
 Alpha virt. eigenvalues --    2.08479   2.11804   2.11804   2.13806   2.13806
 Alpha virt. eigenvalues --    2.28573   2.28573   2.34632   2.53312   2.69732
 Alpha virt. eigenvalues --    2.69732   3.19994   3.19994   3.37602   3.40789
 Alpha virt. eigenvalues --    3.40789   3.59230   7.94179   8.24906  17.26397
 Alpha virt. eigenvalues --   17.26397  17.29005  17.29005  17.53875  17.75316
 Alpha virt. eigenvalues --   23.40935 189.10896 189.52567
          Condensed to atoms (all electrons):
               1          2          3
     1  C    5.102537   0.154002   0.154002
     2  S    0.154002  16.705044  -0.564317
     3  S    0.154002  -0.564317  16.705044
 Mulliken charges:
               1
     1  C    0.589460
     2  S   -0.294730
     3  S   -0.294730
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589460
     2  S   -0.294730
     3  S   -0.294730
 APT charges:
               1
     1  C    0.763192
     2  S   -0.381596
     3  S   -0.381596
 Sum of APT charges =  -0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.763192
     2  S   -0.381596
     3  S   -0.381596
 Electronic spatial extent (au):  <R**2>=            345.6760
 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=            -31.6767   YY=            -31.6767   ZZ=            -28.4616
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.0717   YY=             -1.0717   ZZ=              2.1434
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=             -0.0000
  XXY=             -0.0000  XXZ=             -0.0000  XZZ=             -0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -42.0000 YYYY=            -42.0000 ZZZZ=           -372.5221 XXXY=             -0.0000
 XXXZ=              0.0000 YYYX=             -0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=            -14.0000 XXZZ=            -76.8984 YYZZ=            -76.8984
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 1.086828302454D+02 E-N=-2.200113412783D+03  KE= 8.332859677118D+02
 Symmetry AG   KE= 3.553938592835D+02
 Symmetry B1G  KE= 1.327645436738D-33
 Symmetry B2G  KE= 3.903792383500D+01
 Symmetry B3G  KE= 3.903792383500D+01
 Symmetry AU   KE= 2.421271757989D-34
 Symmetry B1U  KE= 3.236182915183D+02
 Symmetry B2U  KE= 3.809898462002D+01
 Symmetry B3U  KE= 3.809898462002D+01
  Exact polarizability:      29.488       0.000      29.488      -0.000       0.000      92.711
 Approx polarizability:      46.008      -0.000      46.008      -0.000      -0.000     232.282
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0010   -0.0009    0.0026    3.6052    3.6052  397.6680
 Low frequencies ---  397.6680  667.4637 1531.3822
 Diagonal vibrational polarizability:
        0.5954358       0.5954358       7.8957730
 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
                     PIU                    PIU                    SGG
 Frequencies --    397.6680               397.6680               667.4637
 Red. masses --     13.3142                13.3142                31.9721
 Frc consts  --      1.2405                 1.2405                 8.3922
 IR Inten    --      3.4990                 3.4990                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.97  -0.00     0.97  -0.00  -0.00     0.00  -0.00   0.00
     2  16    -0.00  -0.18   0.00    -0.18   0.00  -0.00    -0.00   0.00   0.71
     3  16    -0.00  -0.18  -0.00    -0.18   0.00   0.00    -0.00   0.00  -0.71
                      4
                     SGU
 Frequencies --   1531.3822
 Red. masses --     13.3142
 Frc consts  --     18.3964
 IR Inten    --    688.0638
  Atom  AN      X      Y      Z
     1   6     0.00   0.00   0.97
     2  16    -0.00  -0.00  -0.18
     3  16    -0.00  -0.00  -0.18

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number 16 and mass  31.97207
 Molecular mass:    75.94414 amu.
 Principal axes and moments of inertia in atomic units:
                                 1                 2                 3
     Eigenvalues --            0.000000        554.343364        554.343364
           X                  -0.000000          1.000000         -0.000000
           Y                   0.000000          0.000000          1.000000
           Z                   1.000000          0.000000         -0.000000
 This molecule is a prolate symmetric top.
 Rotational symmetry number  2.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperature (Kelvin)      0.15625
 Rotational constant (GHZ):           3.255638
 Zero-point vibrational energy      17909.2 (Joules/Mol)
                                    4.28040 (Kcal/Mol)
 Warning -- explicit consideration of   2 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    572.16   572.16   960.33  2203.32
          (Kelvin)
 
 Zero-point correction=                           0.006821 (Hartree/Particle)
 Thermal correction to Energy=                    0.009936
 Thermal correction to Enthalpy=                  0.010880
 Thermal correction to Gibbs Free Energy=        -0.016116
 Sum of electronic and zero-point Energies=           -834.550813
 Sum of electronic and thermal Energies=              -834.547699
 Sum of electronic and thermal Enthalpies=            -834.546755
 Sum of electronic and thermal Free Energies=         -834.573751
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                    6.235              8.878             56.819
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.898
 Rotational               0.592              1.987             15.621
 Vibrational              4.754              3.910              2.300
 Vibration     1          0.764              1.475              0.971
 Vibration     2          0.764              1.475              0.971
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.258848D+08          7.413045         17.069167
 Total V=0       0.355303D+11         10.550599         24.293651
 Vib (Bot)       0.104293D-02         -2.981746         -6.865725
 Vib (Bot)    1  0.448967D+00         -0.347786         -0.800806
 Vib (Bot)    2  0.448967D+00         -0.347786         -0.800806
 Vib (V=0)       0.143155D+01          0.155807          0.358760
 Vib (V=0)    1  0.117199D+01          0.068924          0.158704
 Vib (V=0)    2  0.117199D+01          0.068924          0.158704
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.260133D+08          7.415195         17.074118
 Rotational      0.954105D+03          2.979596          6.860773
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2       16          -0.000000000    0.000000000   -0.000008940
      3       16          -0.000000000   -0.000000000    0.000008940
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008940 RMS     0.000004214
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000008940 RMS     0.000006321
 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.
 The second derivative matrix:
                          R1        R2        A1        A2
           R1           0.49369
           R2           0.04534   0.49369
           A1          -0.00000   0.00000   0.13104
           A2           0.00000  -0.00000  -0.00000   0.13104
 ITU=  0
     Eigenvalues ---    0.13104   0.13104   0.44835   0.53904
 Angle between quadratic step and forces=   0.00 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00001173 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 2.32D-13 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.94435  -0.00001   0.00000  -0.00002  -0.00002   2.94433
    R2        2.94435  -0.00001   0.00000  -0.00002  -0.00002   2.94433
    A1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000009     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.000017     0.001800     YES
 RMS     Displacement     0.000012     0.001200     YES
 Predicted change in Energy=-1.482608D-10
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.5581         -DE/DX =    0.0                 !
 ! R2    R(1,3)                  1.5581         -DE/DX =    0.0                 !
 ! A1    L(2,1,3,-1,-1)        180.0            -DE/DX =    0.0                 !
 ! A2    L(2,1,3,-2,-2)        180.0            -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Dipole is zero, so no output in dipole orientation.

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

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.505625D+02      0.749259D+01      0.833664D+01
   aniso      0.632228D+02      0.936865D+01      0.104240D+02
   xx         0.294883D+02      0.436971D+01      0.486196D+01
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.294883D+02      0.436971D+01      0.486196D+01
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.927111D+02      0.137384D+02      0.152860D+02

 ----------------------------------------------------------------------
 Unable to Open any file for archive entry.
 1\1\GINC-COMPUTE-0-0\Freq\RB3LYP\6-311+G(2d,p)\C1S2\ESSELMAN\08-Apr-20
 25\0\\#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(2
 d,p) Freq\\CS2\\0,1\C,0.0000000134,0.,0.\S,0.0000000134,0.,1.558081503
 \S,0.0000000134,0.,-1.558081503\\Version=ES64L-G16RevC.01\State=1-SGG\
 HF=-834.5576344\RMSD=6.464e-10\RMSF=4.214e-06\ZeroPoint=0.0068212\Ther
 mal=0.0099357\ETot=-834.5476987\HTot=-834.5467545\GTot=-834.5737509\Di
 pole=0.,0.,0.\DipoleDeriv=-0.190432,0.,0.,0.,-0.190432,0.,0.,0.,2.6704
 386,0.095216,0.,0.,0.,0.095216,0.,0.,0.,-1.3352193,0.095216,0.,0.,0.,0
 .095216,0.,0.,0.,-1.3352193\Polar=29.4882695,0.,29.4882695,0.,0.,92.71
 10543\Quadrupole=-0.796769,-0.796769,1.5935381,0.,0.,0.\PG=D*H [O(C1),
 C*(S1.S1)]\NImag=0\\0.06046729,0.,0.06046729,0.,0.,0.89669834,-0.03023
 365,0.,0.,0.01512469,0.,-0.03023365,0.,0.,0.01512469,0.,0.,-0.44834917
 ,0.,0.,0.49369245,-0.03023365,0.,0.,0.01510896,0.,0.,0.01512469,0.,-0.
 03023365,0.,0.,0.01510896,0.,0.,0.01512469,0.,0.,-0.44834917,0.,0.,-0.
 04534328,0.,0.,0.49369245\\0.,0.,0.,0.,0.,0.00000894,0.,0.,-0.00000894
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 The archive entry for this job was punched.


 FROM WHENCE IT HAPPENS, THAT THEY WHICH TRUST TO BOOKS, DO AS THEY THAT CAST UP MANY LITTLE SUMMS INTO GREATER,
 WITHOUT CONSIDERING WETHER THOSE LITTLE SUMMES WERE RIGHTLY CAST UP OR NOT...
 AND AT LAST FINDING THE ERROUR VISIBLE, AND NOT MISTRUSTING THEIR FIRST GROUNDS,
 KNOW NOT WHICH WAY TO CLEERE THEMSELVES...
 BUT SPEND TIME IN FLUTTERING OVER THEIR BOOKES....
 AS BIRDS THAT ENTERING BY THE CHIMNEY, AND FINDING THEMSELVES INCLOSED IN A CHAMBER,
 FLUTTER AT THE FALSE LIGHT OF A GLASSE WINDOW,
 FOR WANT OF WIT TO CONSIDER WHICH WAY THEY CAME IN....
           LEVIATHAN
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 Normal termination of Gaussian 16 at Tue Apr  8 17:36:19 2025.