 Entering Gaussian System, Link 0=g16
 Initial command:
 /N/soft/cle6/gaussian/g16/g16/l1.exe "/N/dc2/scratch/virgandh/Gau-12457.inp" -scrdir="/N/dc2/scratch/virgandh/"
 Entering Link 1 = /N/soft/cle6/gaussian/g16/g16/l1.exe PID=     12485.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 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.
  
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 Rights clause in FAR 52.227-19.
  
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 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 16, Revision A.03,
 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, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Feb-2020 
 ******************************************
 %NProcShared=24
 Will use up to   24 processors via shared memory.
 ---------------------
 #n B3LYP/6-31G(d) Opt
 ---------------------
 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=2,25=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=1,6=6,7=1,11=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;
 ---
 CH5
 ---
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 C                    -0.87214  -1.35978  -8.77355 
 H                     0.07663  -1.90977  -8.94125 
 H                    -1.82083  -0.80967  -8.60588 
 H                    -1.37994  -2.31295  -8.51981 
 H                    -0.85208  -1.00481  -9.82443 
 H                    -0.38458  -0.76189  -7.97631 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.1094         estimate D2E/DX2                !
 ! R2    R(1,3)                  1.1094         estimate D2E/DX2                !
 ! R3    R(1,4)                  1.1094         estimate D2E/DX2                !
 ! R4    R(1,5)                  1.1094         estimate D2E/DX2                !
 ! R5    R(1,6)                  1.1094         estimate D2E/DX2                !
 ! A1    A(2,1,4)               90.0048         estimate D2E/DX2                !
 ! A2    A(2,1,5)               89.9984         estimate D2E/DX2                !
 ! A3    A(2,1,6)               89.9976         estimate D2E/DX2                !
 ! A4    A(3,1,4)               90.0027         estimate D2E/DX2                !
 ! A5    A(3,1,5)               89.9981         estimate D2E/DX2                !
 ! A6    A(3,1,6)               89.9984         estimate D2E/DX2                !
 ! A7    A(4,1,5)              119.9893         estimate D2E/DX2                !
 ! A8    A(4,1,6)              119.9889         estimate D2E/DX2                !
 ! A9    A(5,1,6)              120.0219         estimate D2E/DX2                !
 ! A10   L(2,1,3,4,-1)         180.0076         estimate D2E/DX2                !
 ! A11   L(2,1,3,4,-2)         179.9997         estimate D2E/DX2                !
 ! D1    D(2,1,5,4)             90.0046         estimate D2E/DX2                !
 ! D2    D(2,1,6,4)            -90.0042         estimate D2E/DX2                !
 ! D3    D(2,1,6,5)             89.9967         estimate D2E/DX2                !
 ! D4    D(3,1,5,4)            -90.0021         estimate D2E/DX2                !
 ! D5    D(3,1,6,4)             90.0022         estimate D2E/DX2                !
 ! D6    D(3,1,6,5)            -89.9969         estimate D2E/DX2                !
 ! D7    D(4,1,6,5)           -179.9991         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=     33 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.872140   -1.359780   -8.773550
      2          1           0        0.076630   -1.909770   -8.941250
      3          1           0       -1.820830   -0.809670   -8.605880
      4          1           0       -1.379940   -2.312950   -8.519810
      5          1           0       -0.852080   -1.004810   -9.824430
      6          1           0       -0.384580   -0.761890   -7.976310
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.109404   0.000000
     3  H    1.109390   2.218794   0.000000
     4  H    1.109404   1.569000   1.568962   0.000000
     5  H    1.109394   1.568905   1.568891   1.921432   0.000000
     6  H    1.109405   1.568902   1.568903   1.921437   1.921748
                    6
     6  H    0.000000
 Stoichiometry    CH5(1+)
 Framework group  C1[X(CH5)]
 Deg. of freedom    12
 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       -0.000000    0.000002   -0.000020
      2          1           0       -1.109404    0.000016   -0.000049
      3          1           0        1.109390   -0.000020   -0.000139
      4          1           0        0.000065    0.008427    1.109352
      5          1           0       -0.000005    0.956630   -0.561818
      6          1           0       -0.000045   -0.965062   -0.547223
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         135.8106143         116.4204088         116.3987245
 Standard basis: 6-31G(d) (6D, 7F)
 There are    25 symmetry adapted cartesian basis functions of A   symmetry.
 There are    25 symmetry adapted basis functions of A   symmetry.
    25 basis functions,    48 primitive gaussians,    25 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        17.3982204026 Hartrees.
 NAtoms=    6 NActive=    6 NUniq=    6 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.
 One-electron integrals computed using PRISM.
 NBasis=    25 RedAO= T EigKep=  1.63D-02  NBF=    25
 NBsUse=    25 1.00D-06 EigRej= -1.00D+00 NBFU=    25
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 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 canonical form, NReq=20743550.
 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.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -40.7159730049     A.U. after    9 cycles
            NFock=  9  Conv=0.16D-08     -V/T= 2.0098

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (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)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.49713  -1.07431  -0.79635  -0.73771  -0.73764
 Alpha virt. eigenvalues --   -0.33137  -0.16861  -0.09946  -0.09941  -0.06547
 Alpha virt. eigenvalues --    0.24540   0.24547   0.42168   0.50790   0.59489
 Alpha virt. eigenvalues --    0.59495   0.64422   0.65350   0.94189   1.27357
 Alpha virt. eigenvalues --    1.27360   1.82030   1.82055   2.15339   3.84328
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.595556   0.279725   0.279727   0.313576   0.313542   0.313540
     2  H    0.279725   0.234712  -0.007406   0.002725   0.002735   0.002735
     3  H    0.279727  -0.007406   0.234712   0.002724   0.002736   0.002736
     4  H    0.313576   0.002725   0.002724   0.339792  -0.017080  -0.017080
     5  H    0.313542   0.002735   0.002736  -0.017080   0.339738  -0.017061
     6  H    0.313540   0.002735   0.002736  -0.017080  -0.017061   0.339739
 Mulliken charges:
               1
     1  C   -1.095667
     2  H    0.484773
     3  H    0.484771
     4  H    0.375343
     5  H    0.375390
     6  H    0.375390
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.000000
 Electronic spatial extent (au):  <R**2>=             33.2387
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0000    Z=             -0.0003  Tot=              0.0003
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.4406   YY=             -5.8532   ZZ=             -5.8553
   XY=             -0.0000   XZ=             -0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.6091   YY=             -0.8035   ZZ=             -0.8056
   XY=             -0.0000   XZ=             -0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0001  YYY=             -0.0400  ZZZ=              1.7528  XYY=             -0.0001
  XXY=             -0.0000  XXZ=             -0.0006  XZZ=              0.0001  YZZ=              0.0399
  YYZ=             -1.7529  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -5.7523 YYYY=            -10.3402 ZZZZ=            -10.3419 XXXY=             -0.0001
 XXXZ=             -0.0003 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              0.0002
 ZZZY=             -0.0000 XXYY=             -4.6379 XXZZ=             -4.6377 YYZZ=             -3.4476
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 1.739822040258D+01 E-N=-1.248230733800D+02  KE= 4.031941421013D+01
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 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          -0.000021120   -0.000056922    0.000018391
      2        1           0.006296358   -0.003645341   -0.001113642
      3        1          -0.006298482    0.003659303    0.001112939
      4        1          -0.001322593   -0.002486212    0.000661061
      5        1           0.000066012    0.000949646   -0.002742927
      6        1           0.001279824    0.001579527    0.002064178
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006298482 RMS     0.002725068

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007368851 RMS     0.002410705
 Search for a local minimum.
 Step number   1 out of a maximum of   33
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.02789   0.04262   0.05953   0.06561   0.11943
     Eigenvalues ---    0.16000   0.16000   0.32663   0.32663   0.32663
     Eigenvalues ---    0.32664   0.32665
 RFO step:  Lambda=-4.08707196D-04 EMin= 2.78871336D-02
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00737126 RMS(Int)=  0.00000040
 Iteration  2 RMS(Cart)=  0.00000027 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.09647   0.00736   0.00000   0.02251   0.02251   2.11897
    R2        2.09644   0.00737   0.00000   0.02253   0.02253   2.11897
    R3        2.09647   0.00289   0.00000   0.00884   0.00884   2.10532
    R4        2.09645   0.00290   0.00000   0.00888   0.00888   2.10533
    R5        2.09647   0.00290   0.00000   0.00886   0.00886   2.10533
    A1        1.57088   0.00000   0.00000   0.00003   0.00003   1.57091
    A2        1.57077  -0.00000   0.00000  -0.00002  -0.00002   1.57075
    A3        1.57075  -0.00000   0.00000  -0.00002  -0.00002   1.57074
    A4        1.57084   0.00000   0.00000   0.00005   0.00005   1.57090
    A5        1.57076  -0.00000   0.00000  -0.00002  -0.00002   1.57075
    A6        1.57077  -0.00000   0.00000  -0.00003  -0.00003   1.57074
    A7        2.09421   0.00002   0.00000   0.00011   0.00011   2.09432
    A8        2.09420   0.00002   0.00000   0.00012   0.00012   2.09432
    A9        2.09478  -0.00004   0.00000  -0.00023  -0.00023   2.09455
   A10        3.14172   0.00000   0.00000   0.00008   0.00008   3.14181
   A11        3.14159  -0.00000   0.00000  -0.00000  -0.00000   3.14158
    D1        1.57088   0.00000   0.00000   0.00002   0.00002   1.57090
    D2       -1.57087  -0.00000   0.00000  -0.00003  -0.00003  -1.57089
    D3        1.57074  -0.00000   0.00000  -0.00003  -0.00003   1.57071
    D4       -1.57083  -0.00000   0.00000  -0.00005  -0.00005  -1.57088
    D5        1.57084   0.00000   0.00000   0.00005   0.00005   1.57088
    D6       -1.57074   0.00000   0.00000   0.00004   0.00004  -1.57070
    D7       -3.14158  -0.00000   0.00000  -0.00001  -0.00001  -3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.007369     0.000450     NO 
 RMS     Force            0.002411     0.000300     NO 
 Maximum Displacement     0.019266     0.001800     NO 
 RMS     Displacement     0.007371     0.001200     NO 
 Predicted change in Energy=-2.046093D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.872164   -1.359827   -8.773537
      2          1           0        0.086811   -1.915684   -8.943046
      3          1           0       -1.831025   -0.803760   -8.604072
      4          1           0       -1.382100   -2.317023   -8.518729
      5          1           0       -0.851952   -1.003254   -9.828832
      6          1           0       -0.382510   -0.759323   -7.973014
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.121313   0.000000
     3  H    1.121313   2.242626   0.000000
     4  H    1.114085   1.580765   1.580754   0.000000
     5  H    1.114092   1.580640   1.580638   1.929615   0.000000
     6  H    1.114092   1.580631   1.580634   1.929614   1.929750
                    6
     6  H    0.000000
 Stoichiometry    CH5(1+)
 Framework group  C1[X(CH5)]
 Deg. of freedom    12
 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       -0.000001    0.000001    0.000009
      2          1           0       -1.121314    0.000002   -0.000097
      3          1           0        1.121313   -0.000010   -0.000129
      4          1           0        0.000023   -0.001862    1.114092
      5          1           0       -0.000002    0.965805   -0.555348
      6          1           0       -0.000016   -0.963942   -0.558574
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         134.6699071         114.5841206         114.5749773
 Standard basis: 6-31G(d) (6D, 7F)
 There are    25 symmetry adapted cartesian basis functions of A   symmetry.
 There are    25 symmetry adapted basis functions of A   symmetry.
    25 basis functions,    48 primitive gaussians,    25 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        17.2802046845 Hartrees.
 NAtoms=    6 NActive=    6 NUniq=    6 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.
 One-electron integrals computed using PRISM.
 NBasis=    25 RedAO= T EigKep=  1.67D-02  NBF=    25
 NBsUse=    25 1.00D-06 EigRej= -1.00D+00 NBFU=    25
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-12485.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999989   -0.004634    0.000015   -0.000006 Ang=  -0.53 deg.
 Keep R1 ints in memory in canonical form, NReq=20743550.
 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) =  -40.7161918070     A.U. after    7 cycles
            NFock=  7  Conv=0.41D-08     -V/T= 2.0109
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 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          -0.000013907   -0.000025699    0.000006876
      2        1           0.000588922   -0.000336733   -0.000104690
      3        1          -0.000584828    0.000344681    0.000102932
      4        1          -0.000027871   -0.000053531    0.000013852
      5        1           0.000005937    0.000028735   -0.000060884
      6        1           0.000031746    0.000042547    0.000041914
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000588922 RMS     0.000230516

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000686586 RMS     0.000203838
 Search for a local minimum.
 Step number   2 out of a maximum of   33
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    1    2
 DE= -2.19D-04 DEPred=-2.05D-04 R= 1.07D+00
 TightC=F SS=  1.41D+00  RLast= 3.54D-02 DXNew= 5.0454D-01 1.0606D-01
 Trust test= 1.07D+00 RLast= 3.54D-02 DXMaxT set to 3.00D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.02789   0.04262   0.05953   0.06562   0.11942
     Eigenvalues ---    0.16000   0.16000   0.29809   0.32663   0.32664
     Eigenvalues ---    0.32664   0.32974
 RFO step:  Lambda=-3.73236231D-07 EMin= 2.78870916D-02
 Quartic linear search produced a step of  0.08976.
 Iteration  1 RMS(Cart)=  0.00070468 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.11897   0.00069   0.00202   0.00035   0.00237   2.12134
    R2        2.11897   0.00069   0.00202   0.00035   0.00237   2.12134
    R3        2.10532   0.00006   0.00079  -0.00056   0.00024   2.10555
    R4        2.10533   0.00007   0.00080  -0.00054   0.00025   2.10558
    R5        2.10533   0.00007   0.00080  -0.00054   0.00025   2.10558
    A1        1.57091   0.00000   0.00000   0.00003   0.00004   1.57095
    A2        1.57075  -0.00000  -0.00000  -0.00002  -0.00002   1.57073
    A3        1.57074  -0.00000  -0.00000  -0.00002  -0.00002   1.57072
    A4        1.57090   0.00000   0.00000   0.00004   0.00005   1.57094
    A5        1.57075  -0.00000  -0.00000  -0.00002  -0.00002   1.57073
    A6        1.57074  -0.00000  -0.00000  -0.00002  -0.00002   1.57072
    A7        2.09432   0.00001   0.00001   0.00003   0.00004   2.09436
    A8        2.09432   0.00001   0.00001   0.00004   0.00005   2.09436
    A9        2.09455  -0.00001  -0.00002  -0.00007  -0.00009   2.09446
   A10        3.14181   0.00000   0.00001   0.00008   0.00008   3.14189
   A11        3.14158  -0.00000  -0.00000  -0.00000  -0.00000   3.14158
    D1        1.57090   0.00000   0.00000   0.00003   0.00003   1.57093
    D2       -1.57089  -0.00000  -0.00000  -0.00003  -0.00003  -1.57093
    D3        1.57071  -0.00000  -0.00000  -0.00003  -0.00003   1.57067
    D4       -1.57088  -0.00000  -0.00000  -0.00004  -0.00004  -1.57093
    D5        1.57088   0.00000   0.00000   0.00004   0.00004   1.57092
    D6       -1.57070   0.00000   0.00000   0.00003   0.00004  -1.57067
    D7       -3.14159   0.00000  -0.00000  -0.00000  -0.00000  -3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000687     0.000450     NO 
 RMS     Force            0.000204     0.000300     YES
 Maximum Displacement     0.002038     0.001800     NO 
 RMS     Displacement     0.000705     0.001200     YES
 Predicted change in Energy=-1.602117D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.872179   -1.359854   -8.773530
      2          1           0        0.087890   -1.916292   -8.943238
      3          1           0       -1.832089   -0.803123   -8.603885
      4          1           0       -1.382170   -2.317159   -8.518695
      5          1           0       -0.851939   -1.003198   -9.828938
      6          1           0       -0.382453   -0.759243   -7.972944
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.122567   0.000000
     3  H    1.122567   2.245133   0.000000
     4  H    1.114210   1.581773   1.581769   0.000000
     5  H    1.114226   1.581608   1.581607   1.929864   0.000000
     6  H    1.114227   1.581599   1.581599   1.929865   1.929934
                    6
     6  H    0.000000
 Stoichiometry    CH5(1+)
 Framework group  C1[X(CH5)]
 Deg. of freedom    12
 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       -0.000000    0.000002    0.000026
      2          1           0       -1.122567   -0.000005   -0.000138
      3          1           0        1.122566   -0.000009   -0.000147
      4          1           0        0.000007    0.008281    1.114206
      5          1           0       -0.000000    0.960802   -0.564209
      6          1           0       -0.000004   -0.969079   -0.549870
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         134.6380880         114.4232928         114.4186387
 Standard basis: 6-31G(d) (6D, 7F)
 There are    25 symmetry adapted cartesian basis functions of A   symmetry.
 There are    25 symmetry adapted basis functions of A   symmetry.
    25 basis functions,    48 primitive gaussians,    25 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        17.2712625688 Hartrees.
 NAtoms=    6 NActive=    6 NUniq=    6 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.
 One-electron integrals computed using PRISM.
 NBasis=    25 RedAO= T EigKep=  1.67D-02  NBF=    25
 NBsUse=    25 1.00D-06 EigRej= -1.00D+00 NBFU=    25
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-12485.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999990    0.004551    0.000006   -0.000002 Ang=   0.52 deg.
 Keep R1 ints in memory in canonical form, NReq=20743550.
 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) =  -40.7161934829     A.U. after    6 cycles
            NFock=  6  Conv=0.45D-08     -V/T= 2.0110
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 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          -0.000008493   -0.000015257    0.000003780
      2        1           0.000014650   -0.000002844   -0.000003174
      3        1          -0.000009835    0.000011608    0.000001200
      4        1           0.000010255    0.000018823   -0.000005100
      5        1           0.000000768   -0.000004185    0.000017805
      6        1          -0.000007345   -0.000008146   -0.000014511
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018823 RMS     0.000010372

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000022033 RMS     0.000008369
 Search for a local minimum.
 Step number   3 out of a maximum of   33
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2    3
 DE= -1.68D-06 DEPred=-1.60D-06 R= 1.05D+00
 TightC=F SS=  1.41D+00  RLast= 3.38D-03 DXNew= 5.0454D-01 1.0148D-02
 Trust test= 1.05D+00 RLast= 3.38D-03 DXMaxT set to 3.00D-01
 ITU=  1  1  0
     Eigenvalues ---    0.02789   0.04260   0.05952   0.06563   0.11941
     Eigenvalues ---    0.15995   0.16000   0.28370   0.32664   0.32664
     Eigenvalues ---    0.32665   0.33156
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     3    2
 RFO step:  Lambda=-5.32109049D-09.
 Use linear search instead of GDIIS.
 RFO step:  Lambda= 0.00000000D+00 EMin= 2.78870551D-02
 Quartic linear search produced a step of  0.01705.
 Iteration  1 RMS(Cart)=  0.00003297 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.12134   0.00001   0.00004   0.00001   0.00005   2.12140
    R2        2.12134   0.00001   0.00004   0.00001   0.00005   2.12140
    R3        2.10555  -0.00002   0.00000  -0.00007  -0.00007   2.10549
    R4        2.10558  -0.00002   0.00000  -0.00006  -0.00005   2.10553
    R5        2.10558  -0.00002   0.00000  -0.00006  -0.00005   2.10553
    A1        1.57095   0.00000   0.00000   0.00004   0.00004   1.57099
    A2        1.57073  -0.00000  -0.00000  -0.00002  -0.00002   1.57071
    A3        1.57072  -0.00000  -0.00000  -0.00002  -0.00002   1.57069
    A4        1.57094   0.00000   0.00000   0.00004   0.00005   1.57099
    A5        1.57073  -0.00000  -0.00000  -0.00002  -0.00002   1.57071
    A6        1.57072  -0.00000  -0.00000  -0.00002  -0.00002   1.57069
    A7        2.09436   0.00000   0.00000   0.00001   0.00001   2.09437
    A8        2.09436   0.00000   0.00000   0.00001   0.00001   2.09437
    A9        2.09446  -0.00000  -0.00000  -0.00002  -0.00002   2.09444
   A10        3.14189   0.00000   0.00000   0.00009   0.00009   3.14198
   A11        3.14158  -0.00000  -0.00000  -0.00000  -0.00000   3.14158
    D1        1.57093   0.00000   0.00000   0.00004   0.00004   1.57097
    D2       -1.57093  -0.00000  -0.00000  -0.00004  -0.00004  -1.57096
    D3        1.57067  -0.00000  -0.00000  -0.00004  -0.00004   1.57063
    D4       -1.57093  -0.00000  -0.00000  -0.00004  -0.00004  -1.57097
    D5        1.57092   0.00000   0.00000   0.00004   0.00004   1.57096
    D6       -1.57067   0.00000   0.00000   0.00004   0.00004  -1.57063
    D7       -3.14159  -0.00000  -0.00000  -0.00000  -0.00000  -3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000022     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.000074     0.001800     YES
 RMS     Displacement     0.000033     0.001200     YES
 Predicted change in Energy=-2.991293D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.1226         -DE/DX =    0.0                 !
 ! R2    R(1,3)                  1.1226         -DE/DX =    0.0                 !
 ! R3    R(1,4)                  1.1142         -DE/DX =    0.0                 !
 ! R4    R(1,5)                  1.1142         -DE/DX =    0.0                 !
 ! R5    R(1,6)                  1.1142         -DE/DX =    0.0                 !
 ! A1    A(2,1,4)               90.0088         -DE/DX =    0.0                 !
 ! A2    A(2,1,5)               89.9961         -DE/DX =    0.0                 !
 ! A3    A(2,1,6)               89.9954         -DE/DX =    0.0                 !
 ! A4    A(3,1,4)               90.0085         -DE/DX =    0.0                 !
 ! A5    A(3,1,5)               89.996          -DE/DX =    0.0                 !
 ! A6    A(3,1,6)               89.9953         -DE/DX =    0.0                 !
 ! A7    A(4,1,5)              119.9981         -DE/DX =    0.0                 !
 ! A8    A(4,1,6)              119.9981         -DE/DX =    0.0                 !
 ! A9    A(5,1,6)              120.0038         -DE/DX =    0.0                 !
 ! A10   L(2,1,3,4,-1)         180.0173         -DE/DX =    0.0                 !
 ! A11   L(2,1,3,4,-2)         179.9992         -DE/DX =    0.0                 !
 ! D1    D(2,1,5,4)             90.0079         -DE/DX =    0.0                 !
 ! D2    D(2,1,6,4)            -90.0075         -DE/DX =    0.0                 !
 ! D3    D(2,1,6,5)             89.9928         -DE/DX =    0.0                 !
 ! D4    D(3,1,5,4)            -90.0075         -DE/DX =    0.0                 !
 ! D5    D(3,1,6,4)             90.0071         -DE/DX =    0.0                 !
 ! D6    D(3,1,6,5)            -89.9926         -DE/DX =    0.0                 !
 ! D7    D(4,1,6,5)           -179.9998         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.872179   -1.359854   -8.773530
      2          1           0        0.087890   -1.916292   -8.943238
      3          1           0       -1.832089   -0.803123   -8.603885
      4          1           0       -1.382170   -2.317159   -8.518695
      5          1           0       -0.851939   -1.003198   -9.828938
      6          1           0       -0.382453   -0.759243   -7.972944
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.122567   0.000000
     3  H    1.122567   2.245133   0.000000
     4  H    1.114210   1.581773   1.581769   0.000000
     5  H    1.114226   1.581608   1.581607   1.929864   0.000000
     6  H    1.114227   1.581599   1.581599   1.929865   1.929934
                    6
     6  H    0.000000
 Stoichiometry    CH5(1+)
 Framework group  C1[X(CH5)]
 Deg. of freedom    12
 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       -0.000000    0.000002    0.000026
      2          1           0       -1.122567   -0.000005   -0.000138
      3          1           0        1.122566   -0.000009   -0.000147
      4          1           0        0.000007    0.008281    1.114206
      5          1           0       -0.000000    0.960802   -0.564209
      6          1           0       -0.000004   -0.969079   -0.549870
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         134.6380880         114.4232928         114.4186387

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (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)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.49853  -1.06941  -0.79126  -0.73502  -0.73500
 Alpha virt. eigenvalues --   -0.33450  -0.16975  -0.10007  -0.10007  -0.06815
 Alpha virt. eigenvalues --    0.24780   0.24782   0.42282   0.50824   0.59270
 Alpha virt. eigenvalues --    0.59271   0.63558   0.63935   0.94065   1.27811
 Alpha virt. eigenvalues --    1.27812   1.81651   1.81658   2.12703   3.83926
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.599368   0.277782   0.277782   0.313189   0.313142   0.313140
     2  H    0.277782   0.236037  -0.007390   0.002649   0.002659   0.002660
     3  H    0.277782  -0.007390   0.236037   0.002649   0.002659   0.002660
     4  H    0.313189   0.002649   0.002649   0.341307  -0.017089  -0.017090
     5  H    0.313142   0.002659   0.002659  -0.017089   0.341318  -0.017095
     6  H    0.313140   0.002660   0.002660  -0.017090  -0.017095   0.341319
 Mulliken charges:
               1
     1  C   -1.094403
     2  H    0.485602
     3  H    0.485602
     4  H    0.374385
     5  H    0.374407
     6  H    0.374408
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.000000
 Electronic spatial extent (au):  <R**2>=             33.5341
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0007  Tot=              0.0007
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.3465   YY=             -5.8812   ZZ=             -5.8818
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.6900   YY=             -0.8447   ZZ=             -0.8453
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -0.0396  ZZZ=              1.7733  XYY=             -0.0000
  XXY=             -0.0001  XXZ=             -0.0010  XZZ=              0.0000  YZZ=              0.0395
  YYZ=             -1.7737  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -5.6343 YYYY=            -10.4448 ZZZZ=            -10.4452 XXXY=             -0.0000
 XXXZ=             -0.0000 YYYX=              0.0000 YYYZ=             -0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -4.7133 XXZZ=             -4.7133 YYZZ=             -3.4819
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 1.727126256883D+01 E-N=-1.245580757414D+02  KE= 4.027301350282D+01
 1\1\GINC-NID00370\FOpt\RB3LYP\6-31G(d)\C1H5(1+)\VIRGANDH\13-Feb-2020\0
 \\#n B3LYP/6-31G(d) Opt\\CH5\\1,1\C,-0.8721788453,-1.3598539877,-8.773
 5297981\H,0.0878895054,-1.9162924439,-8.9432377661\H,-1.8320888684,-0.
 8031226221,-8.6038849106\H,-1.3821696016,-2.3171594104,-8.518695027\H,
 -0.851939041,-1.0031983838,-9.8289382857\H,-0.3824531492,-0.7592431521
 ,-7.9729442124\\Version=ES64L-G16RevA.03\State=1-A\HF=-40.7161935\RMSD
 =4.465e-09\RMSF=1.037e-05\Dipole=0.0001237,0.0002336,-0.0000497\Quadru
 pole=0.7500693,-0.1650902,-0.5849791,-0.7992208,-0.2435371,0.1413253\P
 G=C01 [X(C1H5)]\\@


 WHEN ALL ELSE FAILS, LOOK AT THE SCHRODINGER EQUATION.
     -- RUSSELL T. PACK, APRIL 1978
 Job cpu time:       0 days  0 hours  3 minutes 23.2 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 13.9 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Thu Feb 13 17:26:43 2020.
