 Entering Gaussian System, Link 0=g16
 Initial command:
 /gpfs/softs/softwares/Gaussian/g16/l1.exe "/gpfs/workdir/rasmussena/C11H7_Vibronic/Gau-280250.inp" -scrdir="/gpfs/workdir/rasmussena/C11H7_Vibronic/"
 Entering Link 1 = /gpfs/softs/softwares/Gaussian/g16/l1.exe PID=    280251.
  
 Copyright (c) 1988-2017, 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.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision B.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, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevB.01 20-Dec-2017
                10-Jun-2026 
 ******************************************
 %nprocshared=16
 Will use up to   16 processors via shared memory.
 %chk=isomer1_S0.chk
 --------------------------------------------------------------
 # freq=(SelectNormalModes, SaveNormalModes) cam-b3lyp/def2tzvp
 --------------------------------------------------------------
 1/10=4,30=1,38=1/1,3;
 2/12=2,17=6,18=5,40=1/2;
 3/5=44,7=101,11=2,25=1,30=1,71=2,74=-40,140=1/1,2,3;
 4//1;
 5/5=2,38=5,98=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=1,91=2,92=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 ------
 C11H7+
 ------
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 6                     1.96742  -1.36343  -0.00027 
 6                     0.7741   -2.11039  -0.00015 
 6                    -0.43779  -1.24241  -0.00004 
 6                     0.12051   0.       -0.00012 
 6                     1.60942   0.00018  -0.00025 
 6                     1.96712   1.36377  -0.00019 
 1                    -2.42832  -2.16978   0.0003 
 1                     2.96539  -1.79522  -0.00034 
 1                     0.76017  -3.20382  -0.00009 
 6                    -1.83965  -1.25223   0.00021 
 6                    -0.43808   1.24234   0.00005 
 6                    -1.83993   1.2519    0.00029 
 6                    -2.49174  -0.00024   0.00035 
 1                     0.75942   3.20395   0.00012 
 1                    -2.42878   2.16934   0.00045 
 1                    -3.58247  -0.00037   0.00054 
 6                     0.77353   2.1105   -0.00001 
 1                     2.96496   1.79587  -0.00024 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
 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        1.967424   -1.363433   -0.000265
      2          6           0        0.774103   -2.110386   -0.000154
      3          6           0       -0.437785   -1.242412   -0.000037
      4          6           0        0.120514    0.000003   -0.000122
      5          6           0        1.609424    0.000183   -0.000251
      6          6           0        1.967121    1.363774   -0.000188
      7          1           0       -2.428321   -2.169782    0.000303
      8          1           0        2.965389   -1.795222   -0.000337
      9          1           0        0.760173   -3.203823   -0.000089
     10          6           0       -1.839648   -1.252226    0.000214
     11          6           0       -0.438075    1.242343    0.000045
     12          6           0       -1.839927    1.251898    0.000292
     13          6           0       -2.491742   -0.000241    0.000352
     14          1           0        0.759416    3.203945    0.000122
     15          1           0       -2.428775    2.169339    0.000446
     16          1           0       -3.582471   -0.000365    0.000540
     17          6           0        0.773530    2.110505   -0.000011
     18          1           0        2.964956    1.795868   -0.000241
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.407819   0.000000
     3  C    2.408252   1.490655   0.000000
     4  C    2.295656   2.209280   1.362091   0.000000
     5  C    1.409827   2.269860   2.394808   1.488910   0.000000
     6  C    2.727207   3.673293   3.546234   2.295611   1.409726
     7  H    4.469091   3.202975   2.195962   3.347316   4.583899
     8  H    1.087371   2.213834   3.447781   3.363948   2.249916
     9  H    2.201020   1.093526   2.298312   3.267057   3.314647
    10  C    3.808696   2.751024   1.401897   2.326008   3.669418
    11  C    3.546335   3.565132   2.484755   1.362142   2.394831
    12  C    4.619078   4.258886   2.861396   2.326063   3.669443
    13  C    4.662880   3.888246   2.400360   2.612256   4.101166
    14  H    4.724429   5.314351   4.604713   3.267023   3.314605
    15  H    5.639773   5.345510   3.950201   3.347371   4.583916
    16  H    5.714831   4.840653   3.381084   3.702985   5.191895
    17  C    3.673367   4.220891   3.565016   2.209219   2.269841
    18  H    3.313043   4.478689   4.561775   3.363924   2.249878
                    6          7          8          9         10
     6  C    0.000000
     7  H    5.639675   0.000000
     8  H    3.312974   5.406700   0.000000
     9  H    4.724369   3.351975   2.616703   0.000000
    10  C    4.618977   1.090158   4.835620   3.250815   0.000000
    11  C    2.408259   3.950149   4.561838   4.604801   2.861343
    12  C    3.808692   3.471902   5.689991   5.158873   2.504124
    13  C    4.662831   2.170468   5.744757   4.564854   1.411628
    14  H    2.201086   6.248088   5.464246   6.407768   5.158740
    15  H    4.469098   4.339121   6.694382   6.248221   3.471913
    16  H    5.714792   2.457322   6.789402   5.396360   2.145830
    17  C    1.407930   5.345344   4.478722   5.314345   4.258716
    18  H    1.087373   6.694312   3.591090   5.464245   5.689912
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.401885   0.000000
    13  C    2.400326   1.411636   0.000000
    14  H    2.298231   3.250703   4.564738   0.000000
    15  H    2.195953   1.090156   2.170494   3.351861   0.000000
    16  H    3.381057   2.145838   1.090729   5.396257   2.457362
    17  C    1.490534   2.750884   3.888091   1.093531   3.202845
    18  H    3.447754   4.835577   5.744699   2.616694   5.406645
                   16         17         18
    16  H    0.000000
    17  C    4.840508   0.000000
    18  H    6.789349   2.213898   0.000000
 Stoichiometry    C11H7(1+)
 Framework group  C1[X(C11H7)]
 Deg. of freedom    48
 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        1.967425   -1.363431   -0.000265
      2          6           0        0.774105   -2.110385   -0.000154
      3          6           0       -0.437784   -1.242412   -0.000037
      4          6           0        0.120514    0.000003   -0.000122
      5          6           0        1.609424    0.000184   -0.000251
      6          6           0        1.967120    1.363776   -0.000188
      7          1           0       -2.428319   -2.169784    0.000303
      8          1           0        2.965391   -1.795220   -0.000337
      9          1           0        0.760176   -3.203822   -0.000089
     10          6           0       -1.839647   -1.252228    0.000214
     11          6           0       -0.438076    1.242343    0.000045
     12          6           0       -1.839928    1.251896    0.000292
     13          6           0       -2.491742   -0.000243    0.000352
     14          1           0        0.759413    3.203946    0.000122
     15          1           0       -2.428777    2.169337    0.000446
     16          1           0       -3.582471   -0.000368    0.000540
     17          6           0        0.773528    2.110506   -0.000011
     18          1           0        2.964954    1.795870   -0.000241
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9225742           1.4753129           0.8347536
 Standard basis: def2TZVP (5D, 7F)
 There are   438 symmetry adapted cartesian basis functions of A   symmetry.
 There are   383 symmetry adapted basis functions of A   symmetry.
   383 basis functions,   617 primitive gaussians,   438 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       528.0495180749 Hartrees.
 NAtoms=   18 NActive=   18 NUniq=   18 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.
 PrsmSu:  requested number of processors reduced to:  12 ShMem   1 Linda.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   11175 NPrTT=   34716 LenC2=   10881 LenP2D=   26618.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   383 RedAO= T EigKep=  6.74D-06  NBF=   383
 NBsUse=   383 1.00D-06 EigRej= -1.00D+00 NBFU=   383
 ExpMin= 9.52D-02 ExpMax= 1.36D+04 ExpMxC= 4.63D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=20419 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=20419 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.
 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(RCAM-B3LYP) =  -422.916623189     A.U. after   17 cycles
            NFock= 17  Conv=0.52D-08     -V/T= 2.0051
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   383
 NBasis=   383 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    383 NOA=    36 NOB=    36 NVA=   347 NVB=   347

 **** Warning!!: The largest alpha MO coefficient is  0.66410562D+02

 PrsmSu:  requested number of processors reduced to:  12 ShMem   1 Linda.
 PrsmSu:  requested number of processors reduced to:  11 ShMem   1 Linda.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   11175 NPrTT=   34716 LenC2=   10881 LenP2D=   26618.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 Number of processors reduced to   4 by ecpmxn.
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do     7 centers at a time, making    3 passes.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 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=111111111111111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 CalDSu exits because no D1Ps are significant.
          There are    57 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
     57 vectors produced by pass  0 Test12= 2.19D-14 1.75D-09 XBig12= 1.69D+02 8.30D+00.
 AX will form    14 AO Fock derivatives at one time.
     54 vectors produced by pass  1 Test12= 2.19D-14 1.75D-09 XBig12= 2.54D+01 7.77D-01.
     54 vectors produced by pass  2 Test12= 2.19D-14 1.75D-09 XBig12= 7.38D-01 2.46D-01.
     54 vectors produced by pass  3 Test12= 2.19D-14 1.75D-09 XBig12= 5.76D-03 1.84D-02.
     54 vectors produced by pass  4 Test12= 2.19D-14 1.75D-09 XBig12= 2.65D-05 6.75D-04.
     54 vectors produced by pass  5 Test12= 2.19D-14 1.75D-09 XBig12= 1.33D-07 5.29D-05.
     50 vectors produced by pass  6 Test12= 2.19D-14 1.75D-09 XBig12= 5.97D-10 3.45D-06.
     31 vectors produced by pass  7 Test12= 2.19D-14 1.75D-09 XBig12= 2.02D-12 2.13D-07.
     15 vectors produced by pass  8 Test12= 2.19D-14 1.75D-09 XBig12= 6.91D-15 1.19D-08.
     11 vectors produced by pass  9 Test12= 2.19D-14 1.75D-09 XBig12= 8.51D-16 3.43D-09.
      8 vectors produced by pass 10 Test12= 2.19D-14 1.75D-09 XBig12= 8.89D-16 3.39D-09.
      6 vectors produced by pass 11 Test12= 2.19D-14 1.75D-09 XBig12= 8.10D-16 3.55D-09.
      6 vectors produced by pass 12 Test12= 2.19D-14 1.75D-09 XBig12= 1.11D-15 4.36D-09.
      3 vectors produced by pass 13 Test12= 2.19D-14 1.75D-09 XBig12= 7.82D-16 3.17D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.24D-14
 Solved reduced A of dimension   457 with    57 vectors.
 Isotropic polarizability for W=    0.000000      119.22 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  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (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 --  -10.50516 -10.50510 -10.49565 -10.45166 -10.45165
 Alpha  occ. eigenvalues --  -10.43757 -10.43741 -10.43601 -10.42717 -10.42716
 Alpha  occ. eigenvalues --  -10.41225  -1.19188  -1.10778  -1.08652  -0.98952
 Alpha  occ. eigenvalues --   -0.98071  -0.95691  -0.88309  -0.84712  -0.84026
 Alpha  occ. eigenvalues --   -0.80281  -0.73746  -0.72138  -0.70539  -0.68689
 Alpha  occ. eigenvalues --   -0.68235  -0.67716  -0.66110  -0.64208  -0.60691
 Alpha  occ. eigenvalues --   -0.58141  -0.57915  -0.57397  -0.56625  -0.46376
 Alpha  occ. eigenvalues --   -0.45651
 Alpha virt. eigenvalues --   -0.29916  -0.19250  -0.11080  -0.07712  -0.04521
 Alpha virt. eigenvalues --   -0.03957  -0.03664  -0.02984  -0.02236  -0.01735
 Alpha virt. eigenvalues --   -0.00959   0.01230   0.02189   0.04042   0.04178
 Alpha virt. eigenvalues --    0.04614   0.05405   0.05465   0.05848   0.07298
 Alpha virt. eigenvalues --    0.07883   0.09747   0.10829   0.12419   0.12708
 Alpha virt. eigenvalues --    0.14407   0.14678   0.15138   0.16825   0.17297
 Alpha virt. eigenvalues --    0.17333   0.17976   0.18162   0.19102   0.21360
 Alpha virt. eigenvalues --    0.22384   0.23123   0.23477   0.25738   0.25797
 Alpha virt. eigenvalues --    0.26165   0.27177   0.27305   0.28730   0.29517
 Alpha virt. eigenvalues --    0.29819   0.31577   0.32095   0.33659   0.34154
 Alpha virt. eigenvalues --    0.34213   0.34453   0.35192   0.36431   0.37723
 Alpha virt. eigenvalues --    0.39478   0.41364   0.41999   0.42270   0.42354
 Alpha virt. eigenvalues --    0.42655   0.44129   0.46691   0.49343   0.50123
 Alpha virt. eigenvalues --    0.51112   0.52694   0.54773   0.56373   0.56456
 Alpha virt. eigenvalues --    0.56715   0.57744   0.58232   0.60494   0.62365
 Alpha virt. eigenvalues --    0.62488   0.65053   0.66344   0.66805   0.67767
 Alpha virt. eigenvalues --    0.67997   0.68685   0.70035   0.70691   0.73965
 Alpha virt. eigenvalues --    0.74975   0.77821   0.78511   0.78720   0.79806
 Alpha virt. eigenvalues --    0.83944   0.85460   0.86496   0.87650   0.88162
 Alpha virt. eigenvalues --    0.89691   0.91284   0.92317   0.94258   0.96171
 Alpha virt. eigenvalues --    0.98308   0.98927   1.00146   1.01133   1.01405
 Alpha virt. eigenvalues --    1.05827   1.07605   1.07664   1.09066   1.11622
 Alpha virt. eigenvalues --    1.13188   1.14054   1.15464   1.18277   1.20030
 Alpha virt. eigenvalues --    1.20827   1.20831   1.23101   1.24321   1.25269
 Alpha virt. eigenvalues --    1.25384   1.28118   1.29730   1.30522   1.34297
 Alpha virt. eigenvalues --    1.36020   1.36073   1.36591   1.37903   1.40139
 Alpha virt. eigenvalues --    1.40575   1.42065   1.42696   1.43799   1.43983
 Alpha virt. eigenvalues --    1.47578   1.47939   1.49420   1.50060   1.52324
 Alpha virt. eigenvalues --    1.54172   1.56580   1.61204   1.62221   1.62443
 Alpha virt. eigenvalues --    1.64829   1.66262   1.69041   1.69490   1.72268
 Alpha virt. eigenvalues --    1.72474   1.76588   1.78080   1.78411   1.82921
 Alpha virt. eigenvalues --    1.84922   1.88741   1.89485   1.94008   1.94185
 Alpha virt. eigenvalues --    1.95440   1.96423   1.99353   2.00367   2.01083
 Alpha virt. eigenvalues --    2.01764   2.02539   2.04113   2.09118   2.09490
 Alpha virt. eigenvalues --    2.12103   2.12743   2.19107   2.19367   2.23174
 Alpha virt. eigenvalues --    2.24092   2.27224   2.28661   2.31099   2.31786
 Alpha virt. eigenvalues --    2.32505   2.32522   2.37780   2.38224   2.39071
 Alpha virt. eigenvalues --    2.42622   2.44432   2.46074   2.46718   2.48725
 Alpha virt. eigenvalues --    2.49048   2.49971   2.51407   2.51930   2.54910
 Alpha virt. eigenvalues --    2.56430   2.56901   2.57878   2.58639   2.62384
 Alpha virt. eigenvalues --    2.62625   2.65935   2.67552   2.68148   2.68386
 Alpha virt. eigenvalues --    2.68626   2.69601   2.70301   2.72208   2.72565
 Alpha virt. eigenvalues --    2.74916   2.77482   2.78451   2.81119   2.83109
 Alpha virt. eigenvalues --    2.83515   2.84679   2.85615   2.86766   2.87296
 Alpha virt. eigenvalues --    2.89409   2.91479   2.92180   2.93316   2.95523
 Alpha virt. eigenvalues --    2.96811   2.97018   3.00098   3.00807   3.01816
 Alpha virt. eigenvalues --    3.02192   3.02502   3.04089   3.04819   3.06076
 Alpha virt. eigenvalues --    3.07358   3.07720   3.09160   3.12384   3.12923
 Alpha virt. eigenvalues --    3.14953   3.15451   3.16471   3.16991   3.17640
 Alpha virt. eigenvalues --    3.18918   3.19525   3.20627   3.22374   3.25166
 Alpha virt. eigenvalues --    3.25905   3.27893   3.28635   3.29807   3.29998
 Alpha virt. eigenvalues --    3.31114   3.32898   3.34400   3.34989   3.36897
 Alpha virt. eigenvalues --    3.37142   3.39929   3.40467   3.43265   3.43466
 Alpha virt. eigenvalues --    3.45562   3.45629   3.46255   3.51188   3.53773
 Alpha virt. eigenvalues --    3.54676   3.59683   3.60928   3.61483   3.61755
 Alpha virt. eigenvalues --    3.67189   3.68009   3.69586   3.71820   3.75752
 Alpha virt. eigenvalues --    3.77872   3.78222   3.79262   3.81264   3.86050
 Alpha virt. eigenvalues --    3.86698   3.89782   3.90887   3.94130   3.96584
 Alpha virt. eigenvalues --    4.02856   4.03243   4.07780   4.07968   4.09075
 Alpha virt. eigenvalues --    4.10602   4.11562   4.12124   4.14630   4.17737
 Alpha virt. eigenvalues --    4.20829   4.21785   4.25232   4.26902   4.27761
 Alpha virt. eigenvalues --    4.36280   4.36592   4.39561   4.43560   4.48932
 Alpha virt. eigenvalues --    4.50598   4.52795   4.53964   4.57605   4.66374
 Alpha virt. eigenvalues --    4.68161   4.68884   4.71476   4.76890   4.77037
 Alpha virt. eigenvalues --    4.78387   4.82144   4.87721   4.91308   4.93268
 Alpha virt. eigenvalues --    4.97298   5.11686   5.13777   5.22151   5.28313
 Alpha virt. eigenvalues --    5.35919   5.41234   5.43015   5.46875   5.54409
 Alpha virt. eigenvalues --    5.80597  21.94487  22.17092  22.30789  22.50354
 Alpha virt. eigenvalues --   22.51106  22.54760  22.59608  22.74163  23.25269
 Alpha virt. eigenvalues --   23.31513  23.70240
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.017909   0.457105   0.005599  -0.129034   0.479073  -0.064966
     2  C    0.457105   4.928734   0.394890  -0.104303  -0.041588   0.004316
     3  C    0.005599   0.394890   5.065180   0.444139  -0.094554  -0.003817
     4  C   -0.129034  -0.104303   0.444139   5.107209   0.322209  -0.129052
     5  C    0.479073  -0.041588  -0.094554   0.322209   4.923652   0.479172
     6  C   -0.064966   0.004316  -0.003817  -0.129052   0.479172   5.017961
     7  H   -0.000103  -0.001870  -0.038251   0.011680  -0.000318  -0.000002
     8  H    0.406755  -0.022361   0.000771   0.007539  -0.019094  -0.000264
     9  H   -0.025379   0.396073  -0.025185   0.010983   0.003451  -0.000059
    10  C    0.004935  -0.077572   0.450476  -0.051837   0.010717  -0.001241
    11  C   -0.003811   0.010103  -0.027608   0.444005  -0.094575   0.005618
    12  C   -0.001241  -0.004765  -0.055373  -0.051854   0.010712   0.004936
    13  C    0.001885   0.004539  -0.013864  -0.093732  -0.006655   0.001886
    14  H   -0.000059   0.000082  -0.000197   0.010986   0.003450  -0.025383
    15  H   -0.000002   0.000080  -0.000752   0.011680  -0.000318  -0.000104
    16  H    0.000002  -0.000088   0.007317   0.000662   0.000069   0.000002
    17  C    0.004317   0.000059   0.010093  -0.104351  -0.041545   0.456932
    18  H   -0.000265  -0.000346  -0.000167   0.007540  -0.019082   0.406753
               7          8          9         10         11         12
     1  C   -0.000103   0.406755  -0.025379   0.004935  -0.003811  -0.001241
     2  C   -0.001870  -0.022361   0.396073  -0.077572   0.010103  -0.004765
     3  C   -0.038251   0.000771  -0.025185   0.450476  -0.027608  -0.055373
     4  C    0.011680   0.007539   0.010983  -0.051837   0.444005  -0.051854
     5  C   -0.000318  -0.019094   0.003451   0.010717  -0.094575   0.010712
     6  C   -0.000002  -0.000264  -0.000059  -0.001241   0.005618   0.004936
     7  H    0.459951  -0.000001   0.000723   0.414572  -0.000752   0.004152
     8  H   -0.000001   0.422606  -0.001081   0.000101  -0.000167   0.000056
     9  H    0.000723  -0.001081   0.421165   0.000822  -0.000197   0.000038
    10  C    0.414572   0.000101   0.000822   4.957396  -0.055380   0.013649
    11  C   -0.000752  -0.000167  -0.000197  -0.055380   5.065253   0.450529
    12  C    0.004152   0.000056   0.000038   0.013649   0.450529   4.957374
    13  C   -0.027887  -0.000012  -0.000255   0.474807  -0.013875   0.474786
    14  H   -0.000000   0.000001  -0.000001   0.000038  -0.025178   0.000821
    15  H   -0.000087  -0.000000  -0.000000   0.004151  -0.038250   0.414570
    16  H   -0.003876  -0.000000   0.000001  -0.038293   0.007318  -0.038296
    17  C    0.000080  -0.000346   0.000082  -0.004768   0.395004  -0.077558
    18  H   -0.000000   0.000414   0.000001   0.000056   0.000770   0.000101
              13         14         15         16         17         18
     1  C    0.001885  -0.000059  -0.000002   0.000002   0.004317  -0.000265
     2  C    0.004539   0.000082   0.000080  -0.000088   0.000059  -0.000346
     3  C   -0.013864  -0.000197  -0.000752   0.007317   0.010093  -0.000167
     4  C   -0.093732   0.010986   0.011680   0.000662  -0.104351   0.007540
     5  C   -0.006655   0.003450  -0.000318   0.000069  -0.041545  -0.019082
     6  C    0.001886  -0.025383  -0.000104   0.000002   0.456932   0.406753
     7  H   -0.027887  -0.000000  -0.000087  -0.003876   0.000080  -0.000000
     8  H   -0.000012   0.000001  -0.000000  -0.000000  -0.000346   0.000414
     9  H   -0.000255  -0.000001  -0.000000   0.000001   0.000082   0.000001
    10  C    0.474807   0.000038   0.004151  -0.038293  -0.004768   0.000056
    11  C   -0.013875  -0.025178  -0.038250   0.007318   0.395004   0.000770
    12  C    0.474786   0.000821   0.414570  -0.038296  -0.077558   0.000101
    13  C    4.922273  -0.000255  -0.027885   0.423429   0.004539  -0.000012
    14  H   -0.000255   0.421152   0.000723   0.000001   0.396061  -0.001080
    15  H   -0.027885   0.000723   0.459949  -0.003875  -0.001870  -0.000001
    16  H    0.423429   0.000001  -0.003875   0.470363  -0.000088  -0.000000
    17  C    0.004539   0.396061  -0.001870  -0.000088   4.928676  -0.022372
    18  H   -0.000012  -0.001080  -0.000001  -0.000000  -0.022372   0.422599
 Mulliken charges:
               1
     1  C   -0.152717
     2  C    0.056913
     3  C   -0.118697
     4  C    0.285529
     5  C    0.085224
     6  C   -0.152687
     7  H    0.181989
     8  H    0.205084
     9  H    0.218819
    10  C   -0.102629
    11  C   -0.118806
    12  C   -0.102638
    13  C   -0.123711
    14  H    0.218839
    15  H    0.181989
    16  H    0.175351
    17  C    0.057055
    18  H    0.205091
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.052367
     2  C    0.275732
     3  C   -0.118697
     4  C    0.285529
     5  C    0.085224
     6  C    0.052404
    10  C    0.079361
    11  C   -0.118806
    12  C    0.079352
    13  C    0.051641
    17  C    0.275894
 APT charges:
               1
     1  C   -0.644334
     2  C    0.432674
     3  C   -0.088145
     4  C   -0.113980
     5  C    0.751052
     6  C   -0.644960
     7  H    0.092994
     8  H    0.137582
     9  H    0.119460
    10  C    0.161639
    11  C   -0.088365
    12  C    0.161588
    13  C   -0.148351
    14  H    0.119476
    15  H    0.092998
    16  H    0.086719
    17  C    0.434355
    18  H    0.137596
 Sum of APT charges =   1.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.506751
     2  C    0.552134
     3  C   -0.088145
     4  C   -0.113980
     5  C    0.751052
     6  C   -0.507364
    10  C    0.254633
    11  C   -0.088365
    12  C    0.254586
    13  C   -0.061631
    17  C    0.553831
 Electronic spatial extent (au):  <R**2>=           1322.8783
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.1071    Y=              0.0014    Z=              0.0000  Tot=              2.1071
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -38.2472   YY=            -32.9219   ZZ=            -64.0914
   XY=              0.0007   XZ=             -0.0033   YZ=              0.0010
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.8396   YY=             12.1649   ZZ=            -19.0045
   XY=              0.0007   XZ=             -0.0033   YZ=              0.0010
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.8698  YYY=              0.0131  ZZZ=             -0.0006  XYY=             12.8014
  XXY=             -0.0011  XXZ=              0.0031  XZZ=              2.0758  YZZ=              0.0012
  YYZ=              0.0016  XYZ=              0.0003
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -771.9762 YYYY=           -542.9799 ZZZZ=            -71.6131 XXXY=             -0.0013
 XXXZ=              0.0249 YYYX=              0.0072 YYYZ=             -0.0031 ZZZX=              0.0662
 ZZZY=             -0.0118 XXYY=           -219.2337 XXZZ=           -194.5773 YYZZ=           -147.3049
 XXYZ=             -0.0010 YYXZ=              0.0114 ZZXY=              0.0008
 N-N= 5.280495180749D+02 E-N=-2.024004144875D+03  KE= 4.207860366024D+02
  Exact polarizability: 147.527  -0.009 154.376  -0.012   0.003  55.743
 Approx polarizability: 190.823   0.001 228.614  -0.015   0.005  79.593
 PrsmSu:  requested number of processors reduced to:  13 ShMem   1 Linda.
 PrsmSu:  requested number of processors reduced to:  13 ShMem   1 Linda.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   11175 NPrTT=   34716 LenC2=   10881 LenP2D=   26618.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 CoulSu:  requested number of processors reduced to:  13 ShMem   1 Linda.
 CoulSu:  requested number of processors reduced to:  13 ShMem   1 Linda.
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0008   59.8483   65.6808   71.1882
 Low frequencies ---  176.7526  237.9163  282.8209
 Diagonal vibrational polarizability:
        3.6902017      67.6545860      18.2956324
 AtmSel:  NamVal=Modes NAtLst=     0 NIVal=     0 NNoVal=     0:
 NorSel:  MapVib=
 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:

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Molecular mass:   139.05478 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   938.710831223.293832162.00465
           X            1.00000   0.00000   0.00013
           Y           -0.00000   1.00000  -0.00003
           Z           -0.00013   0.00003   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09227     0.07080     0.04006
 Rotational constants (GHZ):           1.92257     1.47531     0.83475
 Zero-point vibrational energy     367768.0 (Joules/Mol)
                                   87.89866 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    254.28   342.20   406.89   449.56   558.60
          (Kelvin)            731.06   748.96   778.20   799.51   864.83
                             1021.90  1022.86  1078.68  1172.09  1187.88
                             1209.23  1237.52  1262.43  1352.35  1430.91
                             1463.35  1505.67  1520.19  1524.27  1529.56
                             1551.32  1584.36  1648.73  1681.99  1785.53
                             1863.37  1875.21  1897.53  1948.30  2012.37
                             2074.49  2157.04  2188.64  2188.75  2350.93
                             2459.43  4506.73  4506.86  4507.84  4527.10
                             4534.38  4580.06  4580.72
 
 Zero-point correction=                           0.140075 (Hartree/Particle)
 Thermal correction to Energy=                    0.147209
 Thermal correction to Enthalpy=                  0.148153
 Thermal correction to Gibbs Free Energy=         0.108431
 Sum of electronic and zero-point Energies=           -422.776548
 Sum of electronic and thermal Energies=              -422.769414
 Sum of electronic and thermal Enthalpies=            -422.768470
 Sum of electronic and thermal Free Energies=         -422.808192
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.375             30.234             83.602
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.701
 Rotational               0.889              2.981             29.297
 Vibrational             90.598             24.272             13.605
 Vibration     1          0.628              1.871              2.363
 Vibration     2          0.656              1.783              1.819
 Vibration     3          0.682              1.706              1.517
 Vibration     4          0.701              1.650              1.349
 Vibration     5          0.756              1.495              1.007
 Vibration     6          0.863              1.232              0.638
 Vibration     7          0.876              1.204              0.609
 Vibration     8          0.896              1.160              0.563
 Vibration     9          0.911              1.127              0.533
 Vibration    10          0.959              1.029              0.448
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.133399D-49        -49.874846       -114.841078
 Total V=0       0.359188D+15         14.555322         33.514868
 Vib (Bot)       0.366957D-63        -63.435384       -146.065370
 Vib (Bot)    1  0.113775D+01          0.056048          0.129056
 Vib (Bot)    2  0.825227D+00         -0.083427         -0.192097
 Vib (Bot)    3  0.678835D+00         -0.168236         -0.387378
 Vib (Bot)    4  0.604311D+00         -0.218739         -0.503666
 Vib (Bot)    5  0.462992D+00         -0.334427         -0.770046
 Vib (Bot)    6  0.321120D+00         -0.493333         -1.135940
 Vib (Bot)    7  0.309926D+00         -0.508743         -1.171423
 Vib (Bot)    8  0.292681D+00         -0.533606         -1.228674
 Vib (Bot)    9  0.280866D+00         -0.551501         -1.269877
 Vib (Bot)   10  0.248136D+00         -0.605310         -1.393778
 Vib (V=0)       0.988062D+01          0.994784          2.290576
 Vib (V=0)    1  0.174277D+01          0.241241          0.555477
 Vib (V=0)    2  0.146488D+01          0.165803          0.381776
 Vib (V=0)    3  0.134310D+01          0.128108          0.294980
 Vib (V=0)    4  0.128434D+01          0.108681          0.250246
 Vib (V=0)    5  0.118144D+01          0.072412          0.166735
 Vib (V=0)    6  0.109424D+01          0.039112          0.090058
 Vib (V=0)    7  0.108826D+01          0.036734          0.084583
 Vib (V=0)    8  0.107936D+01          0.033168          0.076371
 Vib (V=0)    9  0.107349D+01          0.030796          0.070911
 Vib (V=0)   10  0.105819D+01          0.024562          0.056556
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.644515D+08          7.809233         17.981423
 Rotational      0.564034D+06          5.751305         13.242870
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.003042511    0.000503933   -0.000003522
      2        6           0.003007053    0.000127651    0.000004687
      3        6           0.000151511    0.006818632   -0.000000121
      4        6          -0.004225749   -0.000000215    0.000002310
      5        6          -0.000706593   -0.000010789    0.000003847
      6        6          -0.003052609   -0.000483940   -0.000001797
      7        1           0.003336439    0.005492224   -0.000000073
      8        1          -0.006020423    0.002650732    0.000000516
      9        1           0.000088609    0.006545657   -0.000001934
     10        6           0.001316636    0.001924929   -0.000001909
     11        6           0.000142762   -0.006820287   -0.000000204
     12        6           0.001324539   -0.001925913   -0.000000671
     13        6           0.000715848   -0.000000492    0.000000186
     14        1           0.000086640   -0.006545913   -0.000001652
     15        1           0.003336113   -0.005491378   -0.000000810
     16        1           0.006533448    0.000000381   -0.000001091
     17        6           0.003027361   -0.000128225    0.000001637
     18        1          -0.006019074   -0.002656987    0.000000600
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006820287 RMS     0.002911236

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00558   0.00715   0.00936   0.01326   0.01952
     Eigenvalues ---    0.02495   0.03190   0.04070   0.04538   0.04865
     Eigenvalues ---    0.05202   0.05778   0.05898   0.06300   0.09115
     Eigenvalues ---    0.09726   0.10105   0.10359   0.12116   0.14576
     Eigenvalues ---    0.15869   0.17595   0.18717   0.21432   0.24952
     Eigenvalues ---    0.26983   0.27147   0.27209   0.28493   0.29588
     Eigenvalues ---    0.31258   0.33155   0.43733   0.47803   0.54918
     Eigenvalues ---    0.58026   0.65823   0.77512   0.79285   0.92120
     Eigenvalues ---    0.99895   1.00203   1.07537   1.08259   1.13552
     Eigenvalues ---    1.20725   1.24693   1.33590
 Angle between quadratic step and forces=  31.63 degrees.
 Linear search not attempted -- first point.
 B after Tr=    -0.000448    0.000004    0.000016
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        3.71789  -0.00304   0.00000  -0.02269  -0.02314   3.69476
    Y1       -2.57651   0.00050   0.00000   0.01424   0.01424  -2.56227
    Z1       -0.00050  -0.00000   0.00000  -0.00003  -0.00001  -0.00051
    X2        1.46284   0.00301   0.00000  -0.00545  -0.00589   1.45695
    Y2       -3.98805   0.00013   0.00000   0.02076   0.02076  -3.96729
    Z2       -0.00029   0.00000   0.00000   0.00001   0.00003  -0.00026
    X3       -0.82729   0.00015   0.00000   0.00366   0.00321  -0.82408
    Y3       -2.34782   0.00682   0.00000   0.01683   0.01683  -2.33099
    Z3       -0.00007  -0.00000   0.00000   0.00006   0.00008   0.00001
    X4        0.22774  -0.00423   0.00000  -0.00496  -0.00541   0.22233
    Y4        0.00001  -0.00000   0.00000   0.00003   0.00003   0.00004
    Z4       -0.00023   0.00000   0.00000   0.00011   0.00013  -0.00010
    X5        3.04137  -0.00071   0.00000  -0.01874  -0.01919   3.02218
    Y5        0.00035  -0.00001   0.00000  -0.00003  -0.00002   0.00032
    Z5       -0.00047   0.00000   0.00000   0.00006   0.00008  -0.00040
    X6        3.71732  -0.00305   0.00000  -0.02265  -0.02310   3.69422
    Y6        2.57716  -0.00048   0.00000  -0.01403  -0.01403   2.56313
    Z6       -0.00036  -0.00000   0.00000  -0.00001   0.00001  -0.00035
    X7       -4.58886   0.00334   0.00000   0.02857   0.02813  -4.56073
    Y7       -4.10029   0.00549   0.00000   0.03178   0.03178  -4.06852
    Z7        0.00057  -0.00000   0.00000  -0.00004  -0.00003   0.00054
    X8        5.60377  -0.00602   0.00000  -0.03818  -0.03863   5.56514
    Y8       -3.39248   0.00265   0.00000   0.02405   0.02406  -3.36842
    Z8       -0.00064   0.00000   0.00000  -0.00008  -0.00006  -0.00070
    X9        1.43652   0.00009   0.00000  -0.00595  -0.00639   1.43013
    Y9       -6.05435   0.00655   0.00000   0.03952   0.03953  -6.01482
    Z9       -0.00017  -0.00000   0.00000  -0.00009  -0.00007  -0.00024
   X10       -3.47643   0.00132   0.00000   0.02035   0.01990  -3.45653
   Y10       -2.36636   0.00192   0.00000   0.01577   0.01577  -2.35059
   Z10        0.00040  -0.00000   0.00000  -0.00001  -0.00000   0.00040
   X11       -0.82784   0.00014   0.00000   0.00373   0.00328  -0.82456
   Y11        2.34769  -0.00682   0.00000  -0.01689  -0.01689   2.33080
   Z11        0.00009  -0.00000   0.00000   0.00005   0.00007   0.00016
   X12       -3.47696   0.00132   0.00000   0.02038   0.01993  -3.45703
   Y12        2.36574  -0.00193   0.00000  -0.01593  -0.01592   2.34982
   Z12        0.00055  -0.00000   0.00000  -0.00001   0.00000   0.00055
   X13       -4.70871   0.00072   0.00000   0.02593   0.02548  -4.68323
   Y13       -0.00046  -0.00000   0.00000  -0.00006  -0.00006  -0.00051
   Z13        0.00067   0.00000   0.00000  -0.00003  -0.00001   0.00065
   X14        1.43509   0.00009   0.00000  -0.00572  -0.00617   1.42892
   Y14        6.05458  -0.00655   0.00000  -0.03942  -0.03941   6.01517
   Z14        0.00023  -0.00000   0.00000  -0.00010  -0.00008   0.00015
   X15       -4.58972   0.00334   0.00000   0.02857   0.02812  -4.56160
   Y15        4.09946  -0.00549   0.00000  -0.03195  -0.03195   4.06751
   Z15        0.00084  -0.00000   0.00000  -0.00005  -0.00004   0.00080
   X16       -6.76989   0.00653   0.00000   0.04439   0.04395  -6.72594
   Y16       -0.00069   0.00000   0.00000  -0.00003  -0.00004  -0.00072
   Z16        0.00102  -0.00000   0.00000  -0.00007  -0.00006   0.00096
   X17        1.46176   0.00303   0.00000  -0.00512  -0.00557   1.45619
   Y17        3.98828  -0.00013   0.00000  -0.02064  -0.02063   3.96764
   Z17       -0.00002   0.00000   0.00000  -0.00001   0.00001  -0.00001
   X18        5.60295  -0.00602   0.00000  -0.03806  -0.03851   5.56444
   Y18        3.39370  -0.00266   0.00000  -0.02405  -0.02404   3.36966
   Z18       -0.00046   0.00000   0.00000  -0.00005  -0.00003  -0.00049
         Item               Value     Threshold  Converged?
 Maximum Force            0.006820     0.000450     NO 
 RMS     Force            0.002911     0.000300     NO 
 Maximum Displacement     0.043946     0.001800     NO 
 RMS     Displacement     0.018355     0.001200     NO 
 Predicted change in Energy=-1.228566D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad


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

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.828994D+00      0.210709D+01      0.702850D+01
   x          0.828994D+00      0.210709D+01      0.702850D+01
   y          0.553034D-03      0.140567D-02      0.468882D-02
   z          0.196376D-04      0.499138D-04      0.166494D-03

 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        0.119215D+03      0.176659D+02      0.196560D+02
   aniso      0.953929D+02      0.141358D+02      0.157282D+02
   xx         0.147527D+03      0.218613D+02      0.243239D+02
   yx        -0.944882D-02     -0.140017D-02     -0.155790D-02
   yy         0.154376D+03      0.228762D+02      0.254532D+02
   zx        -0.121353D-01     -0.179827D-02     -0.200085D-02
   zy         0.331293D-02      0.490925D-03      0.546228D-03
   zz         0.557432D+02      0.826029D+01      0.919081D+01

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

 Dipole orientation:
     6          0.00230929         -2.57899368          3.71617286
     6          0.00298675         -3.98902545          1.46018184
     6          0.00161618         -2.34726544         -0.82885983
     6          0.00023604         -0.00014610          0.22773840
     6          0.00054749         -0.00168276          3.04137012
     6         -0.00127424          2.57467863          3.71903837
     1          0.00205197         -4.09723106         -4.59159596
     1          0.00303519         -3.39621425          5.60150863
     1          0.00424170         -6.05530352          1.43247951
     6          0.00109030         -2.36404428         -3.47800874
     6         -0.00167116          2.34823917         -0.82627541
     6         -0.00221390          2.36806241         -3.47537911
     6         -0.00077852          0.00268531         -4.70870919
     1         -0.00423492          6.05361837          1.43912704
     1         -0.00368833          4.10251599         -4.58698372
     1         -0.00118337          0.00382576         -6.76988797
     6         -0.00260451          3.98729954          1.46442016
     1         -0.00167329          3.38995974          5.60521754

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.828994D+00      0.210709D+01      0.702850D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.828994D+00      0.210709D+01      0.702850D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119215D+03      0.176659D+02      0.196560D+02
   aniso      0.953929D+02      0.141358D+02      0.157282D+02
   xx         0.557433D+02      0.826030D+01      0.919082D+01
   yx        -0.691205D-01     -0.102426D-01     -0.113964D-01
   yy         0.154376D+03      0.228762D+02      0.254532D+02
   zx         0.143106D-01      0.212061D-02      0.235950D-02
   zy        -0.487017D-02     -0.721685D-03     -0.802983D-03
   zz         0.147527D+03      0.218613D+02      0.243239D+02

 ----------------------------------------------------------------------
 1\1\GINC-NODE094\Freq\RCAM-B3LYP\def2TZVP\C11H7(1+)\RASMUSSENA\10-Jun-
 2026\0\\# freq=(SelectNormalModes, SaveNormalModes) cam-b3lyp/def2tzvp
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 0.0127172,0.0000028,0.0107872,0.1128361,-0.0000071,0.0000061,0.0000058
 ,0.1744582\Polar=147.5270942,-0.0094488,154.3760231,-0.0121353,0.00331
 29,55.7432146\Quadrupole=5.08509,9.0443231,-14.1294132,0.0005513,-0.00
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 .00001300,0.00001207,0.45509910,0.11353937,-0.18253190,-0.00001048,-0.
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 00004834,-0.00000023,-0.00001766,-0.00000317,0.00000004,0.30804200,0.1
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 03336,-0.00001079,0.00000003,-0.10943311,0.10205723,0.00001883,-0.0000
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 ... SUBJECTS WHICH DISCLOSE THEIR FULL POWER, MEANING AND BEAUTY AS SOON
 AS THEY ARE PRESENTED TO THE MIND HAVE VERY LITTLE OF THOSE QUALITIES
 TO DISCLOSE.
                           -- CHARLES DUTTON (1882)
 Job cpu time:       0 days 12 hours 57 minutes 13.6 seconds.
 Elapsed time:       0 days  0 hours 50 minutes 38.1 seconds.
 File lengths (MBytes):  RWF=   1392 Int=      0 D2E=      0 Chk=     32 Scr=     32
 Normal termination of Gaussian 16 at Wed Jun 10 17:33:22 2026.
