File: dvb_ir.out

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 Entering Gaussian System, Link 0=g16_main
 Initial command:
 /software/Gaussian16/g16_sse4/g16/l1.exe "/tmp/Gau-14795.inp" -scrdir="/tmp/"
 Entering Link 1 = /software/Gaussian16/g16_sse4/g16/l1.exe PID=     14796.
  
 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.
  
 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 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
                 4-Apr-2018 
 ******************************************
 %chk=PhCCCC.chk
 %mem=900MB
 %nproc=1
 Will use up to    1 processors via shared memory.
 -----------------------------------------------------
 #p b3lyp/sto-3g guess=read freq=hpmodes geom=allcheck
 -----------------------------------------------------
 1/10=4,29=7,30=1,38=1/1,3;
 2/12=2,40=1/2;
 3/6=3,11=2,14=-4,25=1,30=1,71=2,74=-5,116=-2,140=1/1,2,3;
 4/5=1/1;
 5/5=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=11,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Leave Link    1 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l101.exe)
 Structure from the checkpoint file:  "PhCCCC.chk"
 -------------------
 Title Card Required
 -------------------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 C,0,-0.0758620095,0.,0.026976172
 C,0,-0.0045249089,0.,1.4463590272
 C,0,1.233736384,0.,2.1041846497
 C,0,2.4572888655,0.,1.3787460974
 C,0,2.3859517648,0.,-0.0406367578
 H,0,-0.92877965,0.,2.038369764
 H,0,1.2651436192,0.,3.2023768764
 H,0,3.3102065059,0.,-0.6326474946
 C,0,3.7521118658,0.,2.1312678481
 C,0,4.9873358742,0.,1.6008975806
 H,0,5.1666218259,0.,0.5196515525
 H,0,3.6423310639,0.,3.2262049273
 H,0,5.8793519852,0.,2.2381007064
 C,0,-1.3706850098,0.,-0.7255455787
 H,0,-1.2609042079,0.,-1.820482658
 C,0,-2.6059090183,0.,-0.1951753113
 H,0,-2.78519497,0.,0.8860707169
 H,0,-3.4979251292,0.,-0.832378437
 C,0,1.147690472,0.,-0.6984623803
 H,0,1.1162832367,0.,-1.796654607
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1           1          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1          12           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           0           1           0           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000
 Leave Link  101 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4212         calculate D2E/DX2 analytically  !
 ! R2    R(1,14)                 1.4976         calculate D2E/DX2 analytically  !
 ! R3    R(1,19)                 1.4224         calculate D2E/DX2 analytically  !
 ! R4    R(2,3)                  1.4022         calculate D2E/DX2 analytically  !
 ! R5    R(2,6)                  1.0976         calculate D2E/DX2 analytically  !
 ! R6    R(3,4)                  1.4224         calculate D2E/DX2 analytically  !
 ! R7    R(3,7)                  1.0986         calculate D2E/DX2 analytically  !
 ! R8    R(4,5)                  1.4212         calculate D2E/DX2 analytically  !
 ! R9    R(4,9)                  1.4976         calculate D2E/DX2 analytically  !
 ! R10   R(5,8)                  1.0976         calculate D2E/DX2 analytically  !
 ! R11   R(5,19)                 1.4022         calculate D2E/DX2 analytically  !
 ! R12   R(9,10)                 1.3443         calculate D2E/DX2 analytically  !
 ! R13   R(9,12)                 1.1004         calculate D2E/DX2 analytically  !
 ! R14   R(10,11)                1.096          calculate D2E/DX2 analytically  !
 ! R15   R(10,13)                1.0962         calculate D2E/DX2 analytically  !
 ! R16   R(14,15)                1.1004         calculate D2E/DX2 analytically  !
 ! R17   R(14,16)                1.3443         calculate D2E/DX2 analytically  !
 ! R18   R(16,17)                1.096          calculate D2E/DX2 analytically  !
 ! R19   R(16,18)                1.0962         calculate D2E/DX2 analytically  !
 ! R20   R(19,20)                1.0986         calculate D2E/DX2 analytically  !
 ! A1    A(2,1,14)             123.0414         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,19)             117.7863         calculate D2E/DX2 analytically  !
 ! A3    A(14,1,19)            119.1723         calculate D2E/DX2 analytically  !
 ! A4    A(1,2,3)              120.8567         calculate D2E/DX2 analytically  !
 ! A5    A(1,2,6)              119.7635         calculate D2E/DX2 analytically  !
 ! A6    A(3,2,6)              119.3799         calculate D2E/DX2 analytically  !
 ! A7    A(2,3,4)              121.357          calculate D2E/DX2 analytically  !
 ! A8    A(2,3,7)              119.6176         calculate D2E/DX2 analytically  !
 ! A9    A(4,3,7)              119.0253         calculate D2E/DX2 analytically  !
 ! A10   A(3,4,5)              117.7863         calculate D2E/DX2 analytically  !
 ! A11   A(3,4,9)              119.1723         calculate D2E/DX2 analytically  !
 ! A12   A(5,4,9)              123.0414         calculate D2E/DX2 analytically  !
 ! A13   A(4,5,8)              119.7635         calculate D2E/DX2 analytically  !
 ! A14   A(4,5,19)             120.8567         calculate D2E/DX2 analytically  !
 ! A15   A(8,5,19)             119.3799         calculate D2E/DX2 analytically  !
 ! A16   A(4,9,10)             126.5985         calculate D2E/DX2 analytically  !
 ! A17   A(4,9,12)             114.4387         calculate D2E/DX2 analytically  !
 ! A18   A(10,9,12)            118.9628         calculate D2E/DX2 analytically  !
 ! A19   A(9,10,11)            122.6521         calculate D2E/DX2 analytically  !
 ! A20   A(9,10,13)            121.2229         calculate D2E/DX2 analytically  !
 ! A21   A(11,10,13)           116.125          calculate D2E/DX2 analytically  !
 ! A22   A(1,14,15)            114.4387         calculate D2E/DX2 analytically  !
 ! A23   A(1,14,16)            126.5985         calculate D2E/DX2 analytically  !
 ! A24   A(15,14,16)           118.9628         calculate D2E/DX2 analytically  !
 ! A25   A(14,16,17)           122.6521         calculate D2E/DX2 analytically  !
 ! A26   A(14,16,18)           121.2229         calculate D2E/DX2 analytically  !
 ! A27   A(17,16,18)           116.125          calculate D2E/DX2 analytically  !
 ! A28   A(1,19,5)             121.357          calculate D2E/DX2 analytically  !
 ! A29   A(1,19,20)            119.0253         calculate D2E/DX2 analytically  !
 ! A30   A(5,19,20)            119.6176         calculate D2E/DX2 analytically  !
 ! D1    D(14,1,2,3)           180.0            calculate D2E/DX2 analytically  !
 ! D2    D(14,1,2,6)             0.0            calculate D2E/DX2 analytically  !
 ! D3    D(19,1,2,3)             0.0            calculate D2E/DX2 analytically  !
 ! D4    D(19,1,2,6)           180.0            calculate D2E/DX2 analytically  !
 ! D5    D(2,1,14,15)          180.0            calculate D2E/DX2 analytically  !
 ! D6    D(2,1,14,16)            0.0            calculate D2E/DX2 analytically  !
 ! D7    D(19,1,14,15)           0.0            calculate D2E/DX2 analytically  !
 ! D8    D(19,1,14,16)         180.0            calculate D2E/DX2 analytically  !
 ! D9    D(2,1,19,5)             0.0            calculate D2E/DX2 analytically  !
 ! D10   D(2,1,19,20)          180.0            calculate D2E/DX2 analytically  !
 ! D11   D(14,1,19,5)          180.0            calculate D2E/DX2 analytically  !
 ! D12   D(14,1,19,20)           0.0            calculate D2E/DX2 analytically  !
 ! D13   D(1,2,3,4)              0.0            calculate D2E/DX2 analytically  !
 ! D14   D(1,2,3,7)            180.0            calculate D2E/DX2 analytically  !
 ! D15   D(6,2,3,4)            180.0            calculate D2E/DX2 analytically  !
 ! D16   D(6,2,3,7)              0.0            calculate D2E/DX2 analytically  !
 ! D17   D(2,3,4,5)              0.0            calculate D2E/DX2 analytically  !
 ! D18   D(2,3,4,9)            180.0            calculate D2E/DX2 analytically  !
 ! D19   D(7,3,4,5)            180.0            calculate D2E/DX2 analytically  !
 ! D20   D(7,3,4,9)              0.0            calculate D2E/DX2 analytically  !
 ! D21   D(3,4,5,8)            180.0            calculate D2E/DX2 analytically  !
 ! D22   D(3,4,5,19)             0.0            calculate D2E/DX2 analytically  !
 ! D23   D(9,4,5,8)              0.0            calculate D2E/DX2 analytically  !
 ! D24   D(9,4,5,19)           180.0            calculate D2E/DX2 analytically  !
 ! D25   D(3,4,9,10)           180.0            calculate D2E/DX2 analytically  !
 ! D26   D(3,4,9,12)             0.0            calculate D2E/DX2 analytically  !
 ! D27   D(5,4,9,10)             0.0            calculate D2E/DX2 analytically  !
 ! D28   D(5,4,9,12)           180.0            calculate D2E/DX2 analytically  !
 ! D29   D(4,5,19,1)             0.0            calculate D2E/DX2 analytically  !
 ! D30   D(4,5,19,20)          180.0            calculate D2E/DX2 analytically  !
 ! D31   D(8,5,19,1)           180.0            calculate D2E/DX2 analytically  !
 ! D32   D(8,5,19,20)            0.0            calculate D2E/DX2 analytically  !
 ! D33   D(4,9,10,11)            0.0            calculate D2E/DX2 analytically  !
 ! D34   D(4,9,10,13)          180.0            calculate D2E/DX2 analytically  !
 ! D35   D(12,9,10,11)         180.0            calculate D2E/DX2 analytically  !
 ! D36   D(12,9,10,13)           0.0            calculate D2E/DX2 analytically  !
 ! D37   D(1,14,16,17)           0.0            calculate D2E/DX2 analytically  !
 ! D38   D(1,14,16,18)         180.0            calculate D2E/DX2 analytically  !
 ! D39   D(15,14,16,17)        180.0            calculate D2E/DX2 analytically  !
 ! D40   D(15,14,16,18)          0.0            calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.075862   -0.000000    0.026976
      2          6           0       -0.004525   -0.000000    1.446359
      3          6           0        1.233736   -0.000000    2.104185
      4          6           0        2.457289    0.000000    1.378746
      5          6           0        2.385952    0.000000   -0.040637
      6          1           0       -0.928780   -0.000000    2.038370
      7          1           0        1.265144   -0.000000    3.202377
      8          1           0        3.310207    0.000000   -0.632647
      9          6           0        3.752112    0.000000    2.131268
     10          6           0        4.987336    0.000000    1.600898
     11          1           0        5.166622    0.000000    0.519652
     12          1           0        3.642331    0.000000    3.226205
     13          1           0        5.879352    0.000000    2.238101
     14          6           0       -1.370685   -0.000000   -0.725546
     15          1           0       -1.260904   -0.000000   -1.820483
     16          6           0       -2.605909   -0.000000   -0.195175
     17          1           0       -2.785195   -0.000000    0.886071
     18          1           0       -3.497925   -0.000000   -0.832378
     19          6           0        1.147690    0.000000   -0.698462
     20          1           0        1.116283    0.000000   -1.796655
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.421174   0.000000
     3  C    2.455574   1.402150   0.000000
     4  C    2.871260   2.462742   1.422442   0.000000
     5  C    2.462742   2.815233   2.434720   1.421174   0.000000
     6  H    2.184759   1.097599   2.163517   3.449719   3.912763
     7  H    3.446950   2.166946   1.098641   2.178724   3.431231
     8  H    3.449719   3.912763   3.435401   2.184759   1.097599
     9  C    4.368229   3.818563   2.518521   1.497617   2.565845
    10  C    5.302188   4.994252   3.787190   2.539781   3.076009
    11  H    5.265583   5.253527   4.240086   2.842275   2.836556
    12  H    4.905102   4.058006   2.657115   2.194864   3.500106
    13  H    6.352452   5.936907   4.647545   3.528315   4.170910
    14  C    1.497617   2.565845   3.845827   4.368229   3.818563
    15  H    2.194864   3.500106   4.650403   4.905102   4.058006
    16  C    2.539781   3.076009   4.475481   5.302188   4.994252
    17  H    2.842275   2.836556   4.199477   5.265583   5.253527
    18  H    3.528315   4.170910   5.568844   6.352452   5.936907
    19  C    1.422442   2.434720   2.803968   2.455574   1.402150
    20  H    2.178724   3.431231   3.902607   3.446950   2.166946
                    6          7          8          9         10
     6  H    0.000000
     7  H    2.483589   0.000000
     8  H    5.010323   4.346228   0.000000
     9  C    4.681813   2.707819   2.799019   0.000000
    10  C    5.932268   4.052092   2.793114   1.344273   0.000000
    11  H    6.281753   4.734823   2.184965   2.144329   1.096009
    12  H    4.722923   2.377307   3.873119   1.100427   2.109659
    13  H    6.811061   4.713889   3.852493   2.129921   1.096230
    14  C    2.799019   4.730345   4.681813   5.865529   6.770286
    15  H    3.873119   5.622280   4.722923   6.383311   7.123647
    16  C    2.793114   5.150574   5.932268   6.770286   7.802772
    17  H    2.184965   4.665889   6.281753   6.654840   7.805332
    18  H    3.852493   6.242281   6.811061   7.832384   8.827258
    19  C    3.435401   3.902607   2.163517   3.845827   4.475481
    20  H    4.346228   5.001247   2.483589   4.730345   5.150574
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.106267   0.000000
    13  H    1.860390   2.445529   0.000000
    14  C    6.654840   6.383311   7.832384   0.000000
    15  H    6.840272   7.036389   8.213121   1.100427   0.000000
    16  C    7.805332   7.123647   8.827258   1.344273   2.109659
    17  H    7.960255   6.840272   8.769399   2.144329   3.106267
    18  H    8.769399   8.213121   9.867176   2.129921   2.445529
    19  C    4.199477   4.650403   5.568844   2.518521   2.657115
    20  H    4.665889   5.622280   6.242281   2.707819   2.377307
                   16         17         18         19         20
    16  C    0.000000
    17  H    1.096009   0.000000
    18  H    1.096230   1.860390   0.000000
    19  C    3.787190   4.240086   4.647545   0.000000
    20  H    4.052092   4.734823   4.713889   1.098641   0.000000
 Stoichiometry    C10H10
 Framework group  C2H[SGH(C10H10)]
 Deg. of freedom    19
 Full point group                 C2H     NOp   4
 RotChk:  IX=1 Diff= 9.17D-16
 Largest Abelian subgroup         C2H     NOp   4
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.269445    1.410118    0.000000
      2          6           0       -1.064785    0.920662   -0.000000
      3          6           0       -1.325389   -0.457058   -0.000000
      4          6           0       -0.269445   -1.410118    0.000000
      5          6           0        1.064785   -0.920662    0.000000
      6          1           0       -1.904470    1.627522   -0.000000
      7          1           0       -2.364759   -0.813041   -0.000000
      8          1           0        1.904470   -1.627522    0.000000
      9          6           0       -0.603688   -2.869960   -0.000000
     10          6           0        0.269445   -3.892070   -0.000000
     11          1           0        1.355175   -3.742314   -0.000000
     12          1           0       -1.681859   -3.090152   -0.000000
     13          1           0       -0.074247   -4.933029   -0.000000
     14          6           0        0.603688    2.869960   -0.000000
     15          1           0        1.681859    3.090152   -0.000000
     16          6           0       -0.269445    3.892070   -0.000000
     17          1           0       -1.355175    3.742314   -0.000000
     18          1           0        0.074247    4.933029   -0.000000
     19          6           0        1.325389    0.457058   -0.000000
     20          1           0        2.364759    0.813041   -0.000000
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.6266363           0.6849065           0.5965900
 Leave Link  202 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l301.exe)
 Standard basis: STO-3G (5D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are    25 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     5 symmetry adapted cartesian basis functions of BG  symmetry.
 There are     5 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    25 symmetry adapted cartesian basis functions of BU  symmetry.
 There are    25 symmetry adapted basis functions of AG  symmetry.
 There are     5 symmetry adapted basis functions of BG  symmetry.
 There are     5 symmetry adapted basis functions of AU  symmetry.
 There are    25 symmetry adapted basis functions of BU  symmetry.
    60 basis functions,   180 primitive gaussians,    60 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       445.8952146435 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 NAtoms=   20 NActive=   20 NUniq=   10 SFac= 4.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=    60 RedAO= T EigKep=  1.81D-01  NBF=    25     5     5    25
 NBsUse=    60 1.00D-06 EigRej= -1.00D+00 NBFU=    25     5     5    25
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    59    59    59    59    59 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.5 elap:               0.5
 (Enter /software/Gaussian16/g16_sse4/g16/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Wed Apr  4 10:21:19 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l401.exe)
 Initial guess from the checkpoint file:  "PhCCCC.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess orbital symmetries:
       Occupied  (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG)
                 (AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (AG)
                 (BU) (BU) (BU) (AG) (BU) (BU) (AG) (AU) (BU) (AG)
                 (AG) (BG) (AU) (BG) (BG)
       Virtual   (AU) (AU) (BG) (AU) (BG) (AG) (BU) (BU) (AG) (AG)
                 (BU) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU)
                 (AG) (AG) (BU) (AG) (BU)
 The electronic state of the initial guess is 1-AG.
 Leave Link  401 at Wed Apr  4 10:21:20 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l502.exe)
 Keep R1 ints in memory in symmetry-blocked form, NReq=2566258.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   1830 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=   117964800 LenX=   117444911 LenY=   117440870
 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.

 Cycle   1  Pass 1  IDiag  1:
 E= -382.308266602014    
 DIIS: error= 5.98D-09 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -382.308266602014     IErMin= 1 ErrMin= 5.98D-09
 ErrMax= 5.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-15 BMatP= 1.54D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.87D-09 MaxDP=2.98D-08              OVMax= 1.76D-08

 SCF Done:  E(RB3LYP) =  -382.308266602     A.U. after    1 cycles
            NFock=  1  Conv=0.19D-08     -V/T= 2.0172
 KE= 3.758473006349D+02 PE=-1.776406417466D+03 EE= 5.723556355860D+02
 Leave Link  502 at Wed Apr  4 10:21:21 2018, MaxMem=   117964800 cpu:               1.0 elap:               1.0
 (Enter /software/Gaussian16/g16_sse4/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1    60
 NBasis=    60 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=     60 NOA=    35 NOB=    35 NVA=    25 NVB=    25
 Leave Link  801 at Wed Apr  4 10:21:21 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l1101.exe)
 Using compressed storage, NAtomX=    20.
 Will process     21 centers per pass.
 Leave Link 1101 at Wed Apr  4 10:21:21 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.2
 (Enter /software/Gaussian16/g16_sse4/g16/l1102.exe)
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 Leave Link 1102 at Wed Apr  4 10:21:21 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l1110.exe)
 Forming Gx(P) for the SCF density, NAtomX=    20.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Do as many integral derivatives as possible in FoFJK.
 G2DrvN: MDV=     117963264.
 G2DrvN: will do    21 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 FoFJK:  IHMeth= 1 ICntrl=    3107 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         0 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=      3107 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
 Leave Link 1110 at Wed Apr  4 10:21:38 2018, MaxMem=   117964800 cpu:              16.5 elap:              16.5
 (Enter /software/Gaussian16/g16_sse4/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          IDoAtm=11111111111111111111
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Using symmetry in CPHF.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5961 words used for storage of precomputed grid.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2584912.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   1830 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
          MDV=     117964800 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          There are    33 degrees of freedom in the 1st order CPHF.  IDoFFX=4 NUNeed=    33.
     33 vectors produced by pass  0 Test12= 2.65D-15 3.03D-09 XBig12= 2.20D+02 1.32D+01.
 AX will form    33 AO Fock derivatives at one time.
     33 vectors produced by pass  1 Test12= 2.65D-15 3.03D-09 XBig12= 3.17D+01 1.87D+00.
     33 vectors produced by pass  2 Test12= 2.65D-15 3.03D-09 XBig12= 1.47D-01 1.08D-01.
     33 vectors produced by pass  3 Test12= 2.65D-15 3.03D-09 XBig12= 2.18D-04 2.63D-03.
     33 vectors produced by pass  4 Test12= 2.65D-15 3.03D-09 XBig12= 3.34D-07 9.30D-05.
     13 vectors produced by pass  5 Test12= 2.65D-15 3.03D-09 XBig12= 1.75D-10 2.22D-06.
      3 vectors produced by pass  6 Test12= 2.65D-15 3.03D-09 XBig12= 8.55D-14 4.14D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension   181 with    33 vectors.
 FullF1:  Do perturbations      1 to      33.
 Isotropic polarizability for W=    0.000000       74.20 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Apr  4 10:22:13 2018, MaxMem=   117964800 cpu:              34.9 elap:              35.0
 (Enter /software/Gaussian16/g16_sse4/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG) (BU) (AG)
                 (AG) (BU) (AG) (BU) (BU) (AG) (AG) (BU) (AG) (AG)
                 (BU) (BU) (BU) (AG) (BU) (BU) (AG) (AU) (BU) (AG)
                 (AG) (BG) (AU) (BG) (BG)
       Virtual   (AU) (AU) (BG) (AU) (BG) (AG) (BU) (BU) (AG) (AG)
                 (BU) (BU) (AG) (BU) (AG) (AG) (BU) (AG) (BU) (BU)
                 (AG) (AG) (BU) (AG) (BU)
 The electronic state is 1-AG.
 Alpha  occ. eigenvalues --  -10.02022 -10.02017 -10.00811 -10.00811 -10.00679
 Alpha  occ. eigenvalues --  -10.00678 -10.00605 -10.00591  -9.99233  -9.99233
 Alpha  occ. eigenvalues --   -0.80951  -0.75398  -0.71797  -0.69979  -0.66751
 Alpha  occ. eigenvalues --   -0.58869  -0.55892  -0.53166  -0.51018  -0.45745
 Alpha  occ. eigenvalues --   -0.43936  -0.41061  -0.39795  -0.39607  -0.37397
 Alpha  occ. eigenvalues --   -0.35115  -0.34729  -0.32451  -0.31125  -0.29279
 Alpha  occ. eigenvalues --   -0.28745  -0.26354  -0.21245  -0.19505  -0.15308
 Alpha virt. eigenvalues --    0.03742   0.09037   0.11061   0.18220   0.27253
 Alpha virt. eigenvalues --    0.33223   0.34074   0.37937   0.38145   0.41097
 Alpha virt. eigenvalues --    0.41196   0.42674   0.43962   0.45274   0.47826
 Alpha virt. eigenvalues --    0.52626   0.54580   0.57601   0.59946   0.62500
 Alpha virt. eigenvalues --    0.63968   0.68283   0.71722   0.77955   0.79458
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.778685   0.488314  -0.027151  -0.009775  -0.026978  -0.024563
     2  C    0.488314   4.810697   0.508964  -0.026978  -0.010504   0.387886
     3  C   -0.027151   0.508964   4.815051   0.488803  -0.030714  -0.025273
     4  C   -0.009775  -0.026978   0.488803   4.778685   0.488314   0.001331
     5  C   -0.026978  -0.010504  -0.030714   0.488314   4.810697   0.000032
     6  H   -0.024563   0.387886  -0.025273   0.001331   0.000032   0.586976
     7  H    0.001335  -0.025216   0.387929  -0.025299   0.001342  -0.003828
     8  H    0.001331   0.000032   0.001347  -0.024563   0.387886   0.000002
     9  C    0.000016   0.000818  -0.028764   0.411854  -0.024069  -0.000015
    10  C    0.000000  -0.000007   0.000680  -0.023790  -0.003966   0.000000
    11  H   -0.000000  -0.000000   0.000012  -0.003531  -0.000561   0.000000
    12  H   -0.000001   0.000022  -0.003961  -0.026065   0.001086  -0.000002
    13  H    0.000000   0.000000  -0.000016   0.001320   0.000018  -0.000000
    14  C    0.411854  -0.024069   0.000749   0.000016   0.000818  -0.003039
    15  H   -0.026065   0.001086  -0.000017  -0.000001   0.000022   0.000019
    16  C   -0.023790  -0.003966   0.000015   0.000000  -0.000007  -0.000606
    17  H   -0.003531  -0.000561  -0.000012  -0.000000  -0.000000   0.000562
    18  H    0.001320   0.000018   0.000000   0.000000   0.000000  -0.000017
    19  C    0.488803  -0.030714  -0.011069  -0.027151   0.508964   0.001347
    20  H   -0.025299   0.001342   0.000039   0.001335  -0.025216  -0.000034
               7          8          9         10         11         12
     1  C    0.001335   0.001331   0.000016   0.000000  -0.000000  -0.000001
     2  C   -0.025216   0.000032   0.000818  -0.000007  -0.000000   0.000022
     3  C    0.387929   0.001347  -0.028764   0.000680   0.000012  -0.003961
     4  C   -0.025299  -0.024563   0.411854  -0.023790  -0.003531  -0.026065
     5  C    0.001342   0.387886  -0.024069  -0.003966  -0.000561   0.001086
     6  H   -0.003828   0.000002  -0.000015   0.000000   0.000000  -0.000002
     7  H    0.588887  -0.000034  -0.003902   0.000029   0.000001   0.001033
     8  H   -0.000034   0.586976  -0.003039  -0.000606   0.000562   0.000019
     9  C   -0.003902  -0.003039   4.798265   0.586090  -0.023812   0.386251
    10  C    0.000029  -0.000606   0.586090   4.849821   0.385946  -0.027666
    11  H    0.000001   0.000562  -0.023812   0.385946   0.586748   0.002044
    12  H    0.001033   0.000019   0.386251  -0.027666   0.002044   0.595464
    13  H   -0.000002  -0.000017  -0.024048   0.388265  -0.023726  -0.005093
    14  C   -0.000014  -0.000015   0.000000  -0.000000   0.000000  -0.000000
    15  H    0.000000  -0.000002  -0.000000   0.000000  -0.000000   0.000000
    16  C    0.000000   0.000000  -0.000000  -0.000000   0.000000   0.000000
    17  H    0.000002   0.000000   0.000000   0.000000  -0.000000  -0.000000
    18  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    19  C    0.000039  -0.025273   0.000749   0.000015  -0.000012  -0.000017
    20  H    0.000002  -0.003828  -0.000014   0.000000   0.000002   0.000000
              13         14         15         16         17         18
     1  C    0.000000   0.411854  -0.026065  -0.023790  -0.003531   0.001320
     2  C    0.000000  -0.024069   0.001086  -0.003966  -0.000561   0.000018
     3  C   -0.000016   0.000749  -0.000017   0.000015  -0.000012   0.000000
     4  C    0.001320   0.000016  -0.000001   0.000000  -0.000000   0.000000
     5  C    0.000018   0.000818   0.000022  -0.000007  -0.000000   0.000000
     6  H   -0.000000  -0.003039   0.000019  -0.000606   0.000562  -0.000017
     7  H   -0.000002  -0.000014   0.000000   0.000000   0.000002  -0.000000
     8  H   -0.000017  -0.000015  -0.000002   0.000000   0.000000  -0.000000
     9  C   -0.024048   0.000000  -0.000000  -0.000000   0.000000  -0.000000
    10  C    0.388265  -0.000000   0.000000  -0.000000   0.000000   0.000000
    11  H   -0.023726   0.000000  -0.000000   0.000000  -0.000000   0.000000
    12  H   -0.005093  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    13  H    0.583955  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    14  C   -0.000000   4.798265   0.386251   0.586090  -0.023812  -0.024048
    15  H   -0.000000   0.386251   0.595464  -0.027666   0.002044  -0.005093
    16  C    0.000000   0.586090  -0.027666   4.849821   0.385946   0.388265
    17  H    0.000000  -0.023812   0.002044   0.385946   0.586748  -0.023726
    18  H   -0.000000  -0.024048  -0.005093   0.388265  -0.023726   0.583955
    19  C    0.000000  -0.028764  -0.003961   0.000680   0.000012  -0.000016
    20  H   -0.000000  -0.003902   0.001033   0.000029   0.000001  -0.000002
              19         20
     1  C    0.488803  -0.025299
     2  C   -0.030714   0.001342
     3  C   -0.011069   0.000039
     4  C   -0.027151   0.001335
     5  C    0.508964  -0.025216
     6  H    0.001347  -0.000034
     7  H    0.000039   0.000002
     8  H   -0.025273  -0.003828
     9  C    0.000749  -0.000014
    10  C    0.000015   0.000000
    11  H   -0.000012   0.000002
    12  H   -0.000017   0.000000
    13  H    0.000000  -0.000000
    14  C   -0.028764  -0.003902
    15  H   -0.003961   0.001033
    16  C    0.000680   0.000029
    17  H    0.000012   0.000001
    18  H   -0.000016  -0.000002
    19  C    4.815051   0.387929
    20  H    0.387929   0.588887
 Mulliken charges:
               1
     1  C   -0.004504
     2  C   -0.077163
     3  C   -0.076614
     4  C   -0.004504
     5  C   -0.077163
     6  H    0.079223
     7  H    0.077694
     8  H    0.079223
     9  C   -0.076380
    10  C   -0.154812
    11  H    0.076327
    12  H    0.076884
    13  H    0.079344
    14  C   -0.076380
    15  H    0.076884
    16  C   -0.154812
    17  H    0.076327
    18  H    0.079344
    19  C   -0.076614
    20  H    0.077694
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.004504
     2  C    0.002060
     3  C    0.001080
     4  C   -0.004504
     5  C    0.002060
     9  C    0.000505
    10  C    0.000859
    14  C    0.000505
    16  C    0.000859
    19  C    0.001080
 APT charges:
               1
     1  C    0.021510
     2  C   -0.079658
     3  C   -0.083041
     4  C    0.021510
     5  C   -0.079658
     6  H    0.058844
     7  H    0.057857
     8  H    0.058844
     9  C    0.038352
    10  C   -0.167015
    11  H    0.050749
    12  H    0.023510
    13  H    0.078892
    14  C    0.038352
    15  H    0.023510
    16  C   -0.167015
    17  H    0.050749
    18  H    0.078892
    19  C   -0.083041
    20  H    0.057857
 Sum of APT charges =   0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.021510
     2  C   -0.020814
     3  C   -0.025184
     4  C    0.021510
     5  C   -0.020814
     9  C    0.061861
    10  C   -0.037374
    14  C    0.061861
    16  C   -0.037374
    19  C   -0.025184
 Electronic spatial extent (au):  <R**2>=           1861.7945
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.2214   YY=            -50.7163   ZZ=            -58.6254
   XY=              0.0592   XZ=             -0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.9663   YY=              2.4714   ZZ=             -5.4377
   XY=              0.0592   XZ=             -0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=             -0.0000  YZZ=             -0.0000
  YYZ=             -0.0000  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -330.0839 YYYY=          -1862.0830 ZZZZ=            -47.6115 XXXY=            -13.8278
 XXXZ=             -0.0000 YYYX=             -8.0698 YYYZ=             -0.0000 ZZZX=             -0.0000
 ZZZY=             -0.0000 XXYY=           -367.7292 XXZZ=            -72.2575 YYZZ=           -367.5501
 XXYZ=             -0.0000 YYXZ=             -0.0000 ZZXY=             -5.8273
 N-N= 4.458952146435D+02 E-N=-1.776406417193D+03  KE= 3.758473006349D+02
 Symmetry AG   KE= 1.814054557324D+02
 Symmetry BG   KE= 7.823289114860D+00
 Symmetry AU   KE= 4.696944385764D+00
 Symmetry BU   KE= 1.819216114019D+02
  Exact polarizability:  68.238  -6.777 143.018   0.000   0.000  11.343
 Approx polarizability: 124.063 -22.163 223.862  -0.000   0.000  13.774
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Apr  4 10:22:13 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l701.exe)
 ... and contract with generalized density number  0.
 Compute integral second derivatives.
 Leave Link  701 at Wed Apr  4 10:22:13 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Wed Apr  4 10:22:13 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l703.exe)
 Integral derivatives from FoFJK, PRISM(SPDF).
 Compute integral second derivatives, UseDBF=F ICtDFT=           0.
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=  100127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         0 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    100127 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Leave Link  703 at Wed Apr  4 10:22:29 2018, MaxMem=   117964800 cpu:              15.8 elap:              15.7
 (Enter /software/Gaussian16/g16_sse4/g16/l716.exe)
 Dipole        = 3.90312766D-15 9.05091977D-15-5.16282127D-31
 Polarizability= 6.82379212D+01-6.77733060D+00 1.43018088D+02
                 1.74651566D-29 1.39309781D-28 1.13433656D+01
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.1388   -2.2326   -1.2451   -0.0007    0.0002    0.0004
 Low frequencies ---   53.1981   84.7417  149.4005
 Diagonal vibrational polarizability:
        0.2939855       1.4968041       3.7155974
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                           1         2         3         4         5
                          AU        BG        AU        BU        AG
       Frequencies ---    53.1981   84.7415  149.4005  179.3403  263.3734
    Reduced masses ---     3.2266    2.4837    2.0822    3.3848    3.2244
   Force constants ---     0.0054    0.0105    0.0274    0.0641    0.1318
    IR Intensities ---     0.0342    0.0000    0.3727    0.2687    0.0000
 Coord Atom Element:
   1     1     6          0.00000  -0.00000  -0.00000  -0.10482   0.11959
   2     1     6          0.00000   0.00000  -0.00000  -0.01698  -0.04618
   3     1     6         -0.08074   0.08509  -0.02967   0.00000   0.00000
   1     2     6          0.00000  -0.00000  -0.00000  -0.11228   0.08244
   2     2     6          0.00000  -0.00000  -0.00000  -0.00947   0.06535
   3     2     6         -0.09727   0.13198  -0.09339   0.00000   0.00000
   1     3     6          0.00000  -0.00000  -0.00000  -0.11443  -0.06145
   2     3     6          0.00000  -0.00000  -0.00000  -0.02251   0.10074
   3     3     6         -0.10443   0.04181  -0.08007   0.00000  -0.00000
   1     4     6          0.00000  -0.00000  -0.00000  -0.10482  -0.11959
   2     4     6         -0.00000  -0.00000  -0.00000  -0.01698   0.04618
   3     4     6         -0.08074  -0.08509  -0.02967   0.00000  -0.00000
   1     5     6          0.00000  -0.00000  -0.00000  -0.11228  -0.08244
   2     5     6          0.00000   0.00000  -0.00000  -0.00947  -0.06535
   3     5     6         -0.09727  -0.13198  -0.09339   0.00000  -0.00000
   1     6     1          0.00000  -0.00000  -0.00000  -0.10958   0.15184
   2     6     1         -0.00000  -0.00000   0.00000  -0.00281   0.14316
   3     6     1         -0.10427   0.24778  -0.08136   0.00000   0.00000
   1     7     1          0.00000  -0.00000  -0.00000  -0.11525  -0.09140
   2     7     1         -0.00000  -0.00000  -0.00000  -0.02283   0.18903
   3     7     1         -0.11249   0.08329  -0.06074   0.00000  -0.00000
   1     8     1          0.00000  -0.00000  -0.00000  -0.10958  -0.15184
   2     8     1          0.00000   0.00000  -0.00000  -0.00281  -0.14316
   3     8     1         -0.10427  -0.24778  -0.08136   0.00000  -0.00000
   1     9     6         -0.00000   0.00000   0.00000   0.05454  -0.05382
   2     9     6         -0.00000  -0.00000  -0.00000  -0.05419   0.04364
   3     9     6         -0.02050  -0.13868   0.18124  -0.00000  -0.00000
   1    10     6         -0.00000   0.00000   0.00000   0.23514   0.12439
   2    10     6         -0.00000  -0.00000   0.00000   0.09668   0.19779
   3    10     6          0.27133   0.14661   0.00292  -0.00000   0.00000
   1    11     1         -0.00000   0.00000   0.00000   0.20777   0.09367
   2    11     1         -0.00000   0.00000   0.00000   0.28880   0.40728
   3    11     1          0.48785   0.44539  -0.35827   0.00000  -0.00000
   1    12     1         -0.00000   0.00000   0.00000   0.08854  -0.02622
   2    12     1          0.00000  -0.00000  -0.00000  -0.21984  -0.08657
   3    12     1         -0.20427  -0.39564   0.51923  -0.00000   0.00000
   1    13     1         -0.00000   0.00000   0.00000   0.42683   0.33451
   2    13     1         -0.00000  -0.00000   0.00000   0.03369   0.12967
   3    13     1          0.30956   0.09816   0.20704  -0.00000   0.00000
   1    14     6          0.00000  -0.00000   0.00000   0.05454   0.05382
   2    14     6          0.00000  -0.00000  -0.00000  -0.05419  -0.04364
   3    14     6         -0.02050   0.13868   0.18124  -0.00000   0.00000
   1    15     1         -0.00000   0.00000   0.00000   0.08854   0.02622
   2    15     1          0.00000  -0.00000  -0.00000  -0.21984   0.08657
   3    15     1         -0.20427   0.39564   0.51923  -0.00000   0.00000
   1    16     6         -0.00000   0.00000   0.00000   0.23514  -0.12439
   2    16     6         -0.00000   0.00000   0.00000   0.09668  -0.19779
   3    16     6          0.27133  -0.14661   0.00292   0.00000  -0.00000
   1    17     1         -0.00000   0.00000   0.00000   0.20777  -0.09367
   2    17     1         -0.00000   0.00000   0.00000   0.28880  -0.40728
   3    17     1          0.48785  -0.44539  -0.35827   0.00000  -0.00000
   1    18     1         -0.00000   0.00000   0.00000   0.42683  -0.33451
   2    18     1         -0.00000   0.00000   0.00000   0.03369  -0.12967
   3    18     1          0.30956  -0.09816   0.20704  -0.00000  -0.00000
   1    19     6          0.00000  -0.00000  -0.00000  -0.11443   0.06145
   2    19     6          0.00000   0.00000  -0.00000  -0.02251  -0.10074
   3    19     6         -0.10443  -0.04181  -0.08007   0.00000   0.00000
   1    20     1          0.00000  -0.00000  -0.00000  -0.11525   0.09140
   2    20     1          0.00000   0.00000  -0.00000  -0.02283  -0.18903
   3    20     1         -0.11249  -0.08329  -0.06074   0.00000  -0.00000
                           6         7         8         9        10
                          BG        AG        AU        AU        BU
       Frequencies ---   298.4125  407.5760  424.1455  467.7542  486.7028
    Reduced masses ---     2.3483    4.7968    3.0368    2.2518    3.2427
   Force constants ---     0.1232    0.4695    0.3219    0.2903    0.4526
    IR Intensities ---     0.0000    0.0000    0.1000    5.8039    1.8993
 Coord Atom Element:
   1     1     6         -0.00000  -0.13957   0.00000   0.00000   0.04027
   2     1     6          0.00000  -0.13011  -0.00000  -0.00000  -0.06078
   3     1     6          0.18192  -0.00000  -0.01860   0.19749   0.00000
   1     2     6         -0.00000  -0.15541   0.00000   0.00000   0.07489
   2     2     6         -0.00000  -0.06037   0.00000   0.00000  -0.10446
   3     2     6          0.09844  -0.00000   0.21791  -0.06118  -0.00000
   1     3     6          0.00000   0.00454   0.00000  -0.00000   0.07337
   2     3     6         -0.00000  -0.05238   0.00000   0.00000  -0.08782
   3     3     6         -0.11949   0.00000  -0.21080  -0.09320   0.00000
   1     4     6          0.00000   0.13957   0.00000  -0.00000   0.04027
   2     4     6         -0.00000   0.13011   0.00000   0.00000  -0.06078
   3     4     6         -0.18192  -0.00000  -0.01860   0.19749  -0.00000
   1     5     6          0.00000   0.15541   0.00000  -0.00000   0.07489
   2     5     6          0.00000   0.06037  -0.00000   0.00000  -0.10446
   3     5     6         -0.09844  -0.00000   0.21791  -0.06118  -0.00000
   1     6     1         -0.00000  -0.16086   0.00000   0.00000   0.07682
   2     6     1         -0.00000  -0.06936   0.00000   0.00000  -0.10263
   3     6     1          0.12769  -0.00000   0.48810  -0.28449  -0.00000
   1     7     1          0.00000   0.07697   0.00000  -0.00000   0.08055
   2     7     1         -0.00000  -0.25447   0.00000   0.00000  -0.09963
   3     7     1         -0.18218   0.00000  -0.40545  -0.33885   0.00000
   1     8     1          0.00000   0.16086   0.00000  -0.00000   0.07682
   2     8     1          0.00000   0.06936  -0.00000  -0.00000  -0.10263
   3     8     1         -0.12769   0.00000   0.48810  -0.28449   0.00000
   1     9     6          0.00000   0.00020  -0.00000   0.00000  -0.17484
   2     9     6         -0.00000   0.24192   0.00000   0.00000   0.02980
   3     9     6          0.05363   0.00000   0.00461   0.06611   0.00000
   1    10     6         -0.00000  -0.08096  -0.00000  -0.00000  -0.02794
   2    10     6         -0.00000   0.20074   0.00000  -0.00000   0.18570
   3    10     6          0.03215   0.00000  -0.00160  -0.02798  -0.00000
   1    11     1         -0.00000  -0.07561  -0.00000   0.00000  -0.07378
   2    11     1         -0.00000   0.14800   0.00000  -0.00000   0.49702
   3    11     1         -0.31834  -0.00000  -0.05038   0.24335   0.00000
   1    12     1          0.00000  -0.01905  -0.00000   0.00000  -0.17733
   2    12     1          0.00000   0.35718   0.00000   0.00000   0.05897
   3    12     1          0.39737   0.00000   0.02470  -0.20422  -0.00000
   1    13     1         -0.00000  -0.14312   0.00000  -0.00000   0.26342
   2    13     1         -0.00000   0.22415   0.00000  -0.00000   0.09335
   3    13     1          0.36096  -0.00000   0.04393  -0.38307  -0.00000
   1    14     6         -0.00000  -0.00020  -0.00000  -0.00000  -0.17484
   2    14     6          0.00000  -0.24192  -0.00000  -0.00000   0.02980
   3    14     6         -0.05363   0.00000   0.00461   0.06611   0.00000
   1    15     1         -0.00000   0.01905  -0.00000  -0.00000  -0.17733
   2    15     1         -0.00000  -0.35718  -0.00000  -0.00000   0.05897
   3    15     1         -0.39737  -0.00000   0.02470  -0.20422  -0.00000
   1    16     6          0.00000   0.08096  -0.00000  -0.00000  -0.02794
   2    16     6          0.00000  -0.20074  -0.00000  -0.00000   0.18570
   3    16     6         -0.03215   0.00000  -0.00160  -0.02798  -0.00000
   1    17     1          0.00000   0.07561  -0.00000  -0.00000  -0.07378
   2    17     1          0.00000  -0.14800   0.00000   0.00000   0.49702
   3    17     1          0.31834   0.00000  -0.05038   0.24335   0.00000
   1    18     1          0.00000   0.14312   0.00000   0.00000   0.26342
   2    18     1          0.00000  -0.22415  -0.00000  -0.00000   0.09335
   3    18     1         -0.36096   0.00000   0.04393  -0.38307  -0.00000
   1    19     6         -0.00000  -0.00454   0.00000   0.00000   0.07337
   2    19     6          0.00000   0.05238  -0.00000  -0.00000  -0.08782
   3    19     6          0.11949   0.00000  -0.21080  -0.09320  -0.00000
   1    20     1         -0.00000  -0.07697   0.00000   0.00000   0.08055
   2    20     1          0.00000   0.25447   0.00000   0.00000  -0.09963
   3    20     1          0.18218   0.00000  -0.40545  -0.33885   0.00000
                          11        12        13        14        15
                          AG        BG        AG        AU        BU
       Frequencies ---   578.5256  656.3315  673.6048  706.3769  735.1513
    Reduced masses ---     2.8270    2.0741    6.9110    1.4889    3.1842
   Force constants ---     0.5575    0.5264    1.8476    0.4377    1.0139
    IR Intensities ---     0.0000    0.0000    0.0000    0.4352    4.3442
 Coord Atom Element:
   1     1     6          0.06109   0.00000  -0.10589  -0.00000   0.00293
   2     1     6         -0.11790   0.00000   0.00211   0.00000   0.01786
   3     1     6         -0.00000   0.03764  -0.00000   0.08567  -0.00000
   1     2     6          0.02387   0.00000  -0.15539  -0.00000  -0.02805
   2     2     6          0.02144  -0.00000   0.32628   0.00000  -0.13075
   3     2     6          0.00000  -0.11369  -0.00000   0.01988  -0.00000
   1     3     6         -0.13172  -0.00000   0.23931   0.00000  -0.07144
   2     3     6          0.06757  -0.00000   0.25343   0.00000  -0.13253
   3     3     6          0.00000   0.11844  -0.00000   0.01570  -0.00000
   1     4     6         -0.06109  -0.00000   0.10589   0.00000   0.00293
   2     4     6          0.11790   0.00000  -0.00211  -0.00000   0.01786
   3     4     6          0.00000  -0.03764  -0.00000   0.08567  -0.00000
   1     5     6         -0.02387  -0.00000   0.15539   0.00000  -0.02805
   2     5     6         -0.02144   0.00000  -0.32628  -0.00000  -0.13075
   3     5     6          0.00000   0.11369  -0.00000   0.01988  -0.00000
   1     6     1          0.16085   0.00000  -0.21640  -0.00000  -0.08945
   2     6     1          0.18203  -0.00000   0.25507   0.00000  -0.19764
   3     6     1         -0.00000  -0.19212   0.00000  -0.30657   0.00000
   1     7     1         -0.14056  -0.00000   0.27873   0.00000  -0.04001
   2     7     1          0.08999   0.00000   0.14276  -0.00000  -0.22323
   3     7     1         -0.00000   0.16215   0.00000  -0.31283   0.00000
   1     8     1         -0.16085  -0.00000   0.21640   0.00000  -0.08945
   2     8     1         -0.18203   0.00000  -0.25507  -0.00000  -0.19764
   3     8     1         -0.00000   0.19212   0.00000  -0.30657   0.00000
   1     9     6          0.17399  -0.00000   0.05494   0.00000   0.13273
   2     9     6          0.08961  -0.00000   0.00973   0.00000   0.17959
   3     9     6         -0.00000  -0.13995   0.00000  -0.11669   0.00000
   1    10     6          0.02062  -0.00000   0.03935   0.00000  -0.00947
   2    10     6         -0.05867  -0.00000  -0.02317   0.00000   0.09033
   3    10     6          0.00000   0.02329  -0.00000   0.01694  -0.00000
   1    11     1          0.07244  -0.00000   0.05246   0.00000   0.03677
   2    11     1         -0.42781  -0.00000  -0.11903  -0.00000  -0.26537
   3    11     1         -0.00000  -0.29793   0.00000  -0.25284   0.00000
   1    12     1          0.18293  -0.00000   0.05717   0.00000   0.13955
   2    12     1          0.04454  -0.00000  -0.00129   0.00000   0.18380
   3    12     1          0.00000   0.18676  -0.00000   0.18078  -0.00000
   1    13     1         -0.32236   0.00000  -0.03645  -0.00000  -0.36486
   2    13     1          0.05245  -0.00000   0.00102   0.00000   0.21062
   3    13     1          0.00000   0.51445  -0.00000   0.43550  -0.00000
   1    14     6         -0.17399  -0.00000  -0.05494   0.00000   0.13273
   2    14     6         -0.08961  -0.00000  -0.00973   0.00000   0.17959
   3    14     6         -0.00000   0.13995   0.00000  -0.11669   0.00000
   1    15     1         -0.18293  -0.00000  -0.05717   0.00000   0.13955
   2    15     1         -0.04454  -0.00000   0.00129   0.00000   0.18380
   3    15     1          0.00000  -0.18676  -0.00000   0.18078  -0.00000
   1    16     6         -0.02062   0.00000  -0.03935  -0.00000  -0.00947
   2    16     6          0.05867  -0.00000   0.02317   0.00000   0.09033
   3    16     6          0.00000  -0.02329  -0.00000   0.01694  -0.00000
   1    17     1         -0.07244   0.00000  -0.05246  -0.00000   0.03677
   2    17     1          0.42781  -0.00000   0.11903  -0.00000  -0.26537
   3    17     1         -0.00000   0.29793   0.00000  -0.25284   0.00000
   1    18     1          0.32236   0.00000   0.03645  -0.00000  -0.36486
   2    18     1         -0.05245  -0.00000  -0.00102   0.00000   0.21062
   3    18     1          0.00000  -0.51445  -0.00000   0.43550  -0.00000
   1    19     6          0.13172   0.00000  -0.23931  -0.00000  -0.07144
   2    19     6         -0.06757   0.00000  -0.25343  -0.00000  -0.13253
   3    19     6          0.00000  -0.11844  -0.00000   0.01570  -0.00000
   1    20     1          0.14056   0.00000  -0.27873  -0.00000  -0.04001
   2    20     1         -0.08999   0.00000  -0.14276  -0.00000  -0.22323
   3    20     1         -0.00000  -0.16215   0.00000  -0.31283   0.00000
                          16        17        18        19        20
                          BG        AG        BG        AU        BG
       Frequencies ---   810.2004  862.7014  895.2722  897.2895  980.3970
    Reduced masses ---     3.3325    4.4427    1.2562    1.6957    1.3643
   Force constants ---     1.2889    1.9481    0.5932    0.8044    0.7726
    IR Intensities ---     0.0000    0.0000    0.0000   26.3680    0.0000
 Coord Atom Element:
   1     1     6          0.00000   0.01767  -0.00000   0.00000  -0.00000
   2     1     6         -0.00000   0.07624   0.00000  -0.00000   0.00000
   3     1     6          0.26087  -0.00000   0.00073   0.12455   0.00416
   1     2     6         -0.00000   0.24582  -0.00000   0.00000   0.00000
   2     2     6          0.00000  -0.07746  -0.00000   0.00000  -0.00000
   3     2     6         -0.10551   0.00000  -0.07756  -0.08037   0.00113
   1     3     6         -0.00000   0.24512   0.00000  -0.00000   0.00000
   2     3     6          0.00000  -0.00163  -0.00000   0.00000  -0.00000
   3     3     6          0.10628   0.00000  -0.07267  -0.07405  -0.00015
   1     4     6         -0.00000  -0.01767   0.00000  -0.00000   0.00000
   2     4     6          0.00000  -0.07624  -0.00000   0.00000  -0.00000
   3     4     6         -0.26087  -0.00000  -0.00073   0.12455  -0.00416
   1     5     6          0.00000  -0.24582   0.00000  -0.00000  -0.00000
   2     5     6          0.00000   0.07746   0.00000  -0.00000   0.00000
   3     5     6          0.10551   0.00000   0.07756  -0.08037  -0.00113
   1     6     1          0.00000   0.14959  -0.00000   0.00000   0.00000
   2     6     1          0.00000  -0.21467  -0.00000   0.00000  -0.00000
   3     6     1         -0.27600  -0.00000   0.49963   0.46544  -0.01296
   1     7     1         -0.00000   0.19044   0.00000  -0.00000   0.00000
   2     7     1          0.00000   0.20306  -0.00000   0.00000  -0.00000
   3     7     1          0.28876  -0.00000   0.48836   0.45933   0.00281
   1     8     1          0.00000  -0.14959   0.00000  -0.00000   0.00000
   2     8     1          0.00000   0.21467   0.00000  -0.00000   0.00000
   3     8     1          0.27600  -0.00000  -0.49963   0.46544   0.01296
   1     9     6          0.00000   0.08041  -0.00000   0.00000   0.00000
   2     9     6         -0.00000   0.10725   0.00000  -0.00000   0.00000
   3     9     6          0.12304   0.00000  -0.00002  -0.06192   0.04182
   1    10     6          0.00000  -0.00052  -0.00000   0.00000  -0.00000
   2    10     6         -0.00000   0.07506   0.00000  -0.00000  -0.00000
   3    10     6         -0.01117   0.00000  -0.00174   0.00165  -0.12021
   1    11     1          0.00000   0.03728  -0.00000   0.00000  -0.00000
   2    11     1         -0.00000  -0.21114   0.00000  -0.00000   0.00000
   3    11     1          0.20773   0.00000  -0.01283  -0.07321   0.49516
   1    12     1         -0.00000   0.08733  -0.00000   0.00000   0.00000
   2    12     1         -0.00000   0.11080   0.00000  -0.00000   0.00000
   3    12     1         -0.15953  -0.00000   0.00104   0.03607  -0.01901
   1    13     1          0.00000  -0.31467   0.00000  -0.00000   0.00000
   2    13     1         -0.00000   0.18141  -0.00000   0.00000  -0.00000
   3    13     1         -0.40755  -0.00000   0.02021   0.18555   0.48792
   1    14     6         -0.00000  -0.08041   0.00000  -0.00000  -0.00000
   2    14     6         -0.00000  -0.10725   0.00000  -0.00000   0.00000
   3    14     6         -0.12304   0.00000   0.00002  -0.06192  -0.04182
   1    15     1         -0.00000  -0.08733   0.00000  -0.00000   0.00000
   2    15     1         -0.00000  -0.11080   0.00000  -0.00000  -0.00000
   3    15     1          0.15953   0.00000  -0.00104   0.03607   0.01901
   1    16     6         -0.00000   0.00052   0.00000  -0.00000   0.00000
   2    16     6         -0.00000  -0.07506   0.00000  -0.00000   0.00000
   3    16     6          0.01117  -0.00000   0.00174   0.00165   0.12021
   1    17     1         -0.00000  -0.03728   0.00000  -0.00000   0.00000
   2    17     1          0.00000   0.21114   0.00000  -0.00000   0.00000
   3    17     1         -0.20773   0.00000   0.01283  -0.07321  -0.49516
   1    18     1          0.00000   0.31467  -0.00000   0.00000   0.00000
   2    18     1         -0.00000  -0.18141   0.00000  -0.00000   0.00000
   3    18     1          0.40755   0.00000  -0.02021   0.18555  -0.48792
   1    19     6          0.00000  -0.24512   0.00000  -0.00000  -0.00000
   2    19     6          0.00000   0.00163   0.00000  -0.00000  -0.00000
   3    19     6         -0.10628   0.00000   0.07267  -0.07405   0.00015
   1    20     1          0.00000  -0.19044  -0.00000   0.00000  -0.00000
   2    20     1         -0.00000  -0.20306   0.00000  -0.00000  -0.00000
   3    20     1         -0.28876  -0.00000  -0.48836   0.45933  -0.00281
                          21        22        23        24        25
                          AU        BG        AU        BU        BU
       Frequencies ---   980.5050 1019.6139 1038.1332 1073.4696 1101.5128
    Reduced masses ---     1.3669    1.2586    1.3328    2.9163    1.4461
   Force constants ---     0.7743    0.7709    0.8463    1.9800    1.0337
    IR Intensities ---    36.2383    0.0000    0.0158    0.5778    8.9548
 Coord Atom Element:
   1     1     6          0.00000   0.00000  -0.00000  -0.01723   0.05646
   2     1     6         -0.00000   0.00000  -0.00000  -0.04436   0.02804
   3     1     6         -0.00562  -0.01985   0.00041   0.00000  -0.00000
   1     2     6         -0.00000   0.00000  -0.00000  -0.18490  -0.06051
   2     2     6          0.00000  -0.00000   0.00000   0.06406   0.00899
   3     2     6          0.00404   0.07326   0.08532   0.00000   0.00000
   1     3     6         -0.00000  -0.00000   0.00000   0.21223  -0.02227
   2     3     6          0.00000  -0.00000   0.00000  -0.00336  -0.02253
   3     3     6         -0.00020  -0.07433  -0.08656   0.00000  -0.00000
   1     4     6         -0.00000  -0.00000   0.00000  -0.01723   0.05646
   2     4     6          0.00000  -0.00000   0.00000  -0.04436   0.02804
   3     4     6         -0.00562   0.01985   0.00041   0.00000   0.00000
   1     5     6         -0.00000   0.00000  -0.00000  -0.18490  -0.06051
   2     5     6         -0.00000  -0.00000   0.00000   0.06406   0.00899
   3     5     6          0.00404  -0.07326   0.08532  -0.00000  -0.00000
   1     6     1         -0.00000   0.00000  -0.00000  -0.41029  -0.07556
   2     6     1         -0.00000   0.00000  -0.00000  -0.18999   0.00165
   3     6     1         -0.02171  -0.48476  -0.48467  -0.00000  -0.00000
   1     7     1         -0.00000  -0.00000   0.00000   0.31352   0.04045
   2     7     1          0.00000   0.00000  -0.00000  -0.26854  -0.21535
   3     7     1          0.00544   0.50125   0.49979   0.00000   0.00000
   1     8     1         -0.00000   0.00000  -0.00000  -0.41029  -0.07556
   2     8     1         -0.00000   0.00000  -0.00000  -0.18999   0.00165
   3     8     1         -0.02171   0.48476  -0.48467   0.00000   0.00000
   1     9     6          0.00000  -0.00000   0.00000  -0.00680   0.05556
   2     9     6         -0.00000  -0.00000   0.00000  -0.00287   0.03180
   3     9     6          0.04255  -0.01089  -0.00045  -0.00000  -0.00000
   1    10     6          0.00000   0.00000  -0.00000   0.01296  -0.04726
   2    10     6          0.00000   0.00000  -0.00000   0.03123  -0.06988
   3    10     6         -0.12032   0.00188   0.00267   0.00000   0.00000
   1    11     1          0.00000   0.00000  -0.00000   0.03105  -0.10240
   2    11     1          0.00000  -0.00000   0.00000  -0.10750   0.34928
   3    11     1          0.49568  -0.02980  -0.02164  -0.00000   0.00000
   1    12     1          0.00000   0.00000  -0.00000   0.00320  -0.00745
   2    12     1         -0.00000  -0.00000   0.00000  -0.04655   0.35008
   3    12     1         -0.01924  -0.02380  -0.00433   0.00000   0.00000
   1    13     1         -0.00000  -0.00000   0.00000  -0.13112   0.35953
   2    13     1          0.00000   0.00000  -0.00000   0.08034  -0.20490
   3    13     1          0.48692   0.02991  -0.00580  -0.00000  -0.00000
   1    14     6          0.00000   0.00000  -0.00000  -0.00680   0.05556
   2    14     6          0.00000   0.00000  -0.00000  -0.00287   0.03180
   3    14     6          0.04255   0.01089  -0.00045  -0.00000  -0.00000
   1    15     1          0.00000  -0.00000   0.00000   0.00320  -0.00745
   2    15     1          0.00000   0.00000  -0.00000  -0.04655   0.35008
   3    15     1         -0.01924   0.02380  -0.00433   0.00000   0.00000
   1    16     6         -0.00000  -0.00000   0.00000   0.01296  -0.04726
   2    16     6         -0.00000  -0.00000   0.00000   0.03123  -0.06988
   3    16     6         -0.12032  -0.00188   0.00267   0.00000   0.00000
   1    17     1         -0.00000  -0.00000   0.00000   0.03105  -0.10240
   2    17     1         -0.00000  -0.00000  -0.00000  -0.10750   0.34928
   3    17     1          0.49568   0.02980  -0.02164   0.00000   0.00000
   1    18     1         -0.00000   0.00000  -0.00000  -0.13112   0.35953
   2    18     1          0.00000  -0.00000   0.00000   0.08034  -0.20490
   3    18     1          0.48692  -0.02991  -0.00580  -0.00000  -0.00000
   1    19     6          0.00000  -0.00000   0.00000   0.21223  -0.02227
   2    19     6         -0.00000   0.00000  -0.00000  -0.00336  -0.02253
   3    19     6         -0.00020   0.07433  -0.08656   0.00000  -0.00000
   1    20     1          0.00000  -0.00000   0.00000   0.31352   0.04045
   2    20     1          0.00000   0.00000  -0.00000  -0.26854  -0.21535
   3    20     1          0.00544  -0.50125   0.49979  -0.00000  -0.00000
                          26        27        28        29        30
                          AU        BG        AG        BU        AG
       Frequencies ---  1106.0043 1106.1583 1109.9487 1204.9400 1262.9307
    Reduced masses ---     1.0901    1.0915    1.5056    1.3530    1.2423
   Force constants ---     0.7857    0.7869    1.0928    1.1574    1.1674
    IR Intensities ---    13.3059    0.0000    0.0000    1.4942    0.0000
 Coord Atom Element:
   1     1     6         -0.00000   0.00000  -0.02464   0.03349   0.00548
   2     1     6         -0.00000   0.00000  -0.06440  -0.05074   0.07423
   3     1     6         -0.00088   0.00193   0.00000  -0.00000  -0.00000
   1     2     6          0.00000  -0.00000   0.04850  -0.01839  -0.03495
   2     2     6         -0.00000   0.00000  -0.02330   0.08320  -0.00770
   3     2     6          0.00331  -0.00222  -0.00000   0.00000   0.00000
   1     3     6          0.00000  -0.00000   0.02525  -0.03269  -0.04078
   2     3     6          0.00000  -0.00000   0.03304  -0.05346   0.02683
   3     3     6         -0.00319  -0.00275   0.00000  -0.00000  -0.00000
   1     4     6         -0.00000   0.00000   0.02464   0.03349  -0.00548
   2     4     6          0.00000  -0.00000   0.06440  -0.05074  -0.07423
   3     4     6         -0.00088  -0.00193  -0.00000   0.00000   0.00000
   1     5     6          0.00000  -0.00000  -0.04850  -0.01839   0.03495
   2     5     6         -0.00000   0.00000   0.02330   0.08320   0.00770
   3     5     6          0.00331   0.00222  -0.00000   0.00000   0.00000
   1     6     1          0.00000  -0.00000   0.10422   0.29555  -0.30713
   2     6     1         -0.00000   0.00000   0.03144   0.46588  -0.32380
   3     6     1          0.00317  -0.01836  -0.00000   0.00000   0.00000
   1     7     1         -0.00000   0.00000   0.01816   0.07277  -0.20076
   2     7     1          0.00000  -0.00000   0.06925  -0.39153   0.47937
   3     7     1          0.00534   0.02702   0.00000  -0.00000  -0.00000
   1     8     1          0.00000  -0.00000  -0.10422   0.29555   0.30713
   2     8     1         -0.00000   0.00000  -0.03144   0.46588   0.32380
   3     8     1          0.00317   0.01836   0.00000  -0.00000  -0.00000
   1     9     6         -0.00000   0.00000   0.05439  -0.00896   0.02855
   2     9     6         -0.00000   0.00000   0.02800  -0.00954   0.02364
   3     9     6         -0.06083  -0.06139  -0.00000   0.00000   0.00000
   1    10     6          0.00000  -0.00000  -0.04492   0.00467  -0.00906
   2    10     6          0.00000  -0.00000  -0.08662   0.02501   0.00198
   3    10     6          0.00466   0.00476   0.00000  -0.00000  -0.00000
   1    11     1          0.00000  -0.00000  -0.10159   0.01273  -0.01855
   2    11     1         -0.00000   0.00000   0.35269  -0.04473   0.06132
   3    11     1          0.32968   0.32881  -0.00000   0.00000   0.00000
   1    12     1          0.00000  -0.00000  -0.00776  -0.00341   0.01267
   2    12     1         -0.00000   0.00000   0.33415  -0.03063   0.12542
   3    12     1          0.57596   0.57583   0.00000  -0.00000  -0.00000
   1    13     1         -0.00000   0.00000   0.39825  -0.11716  -0.00712
   2    13     1          0.00000  -0.00000  -0.23529   0.06687   0.00316
   3    13     1         -0.23623  -0.23543  -0.00000  -0.00000  -0.00000
   1    14     6         -0.00000   0.00000  -0.05439  -0.00896  -0.02855
   2    14     6         -0.00000   0.00000  -0.02800  -0.00954  -0.02364
   3    14     6         -0.06083   0.06139   0.00000  -0.00000   0.00000
   1    15     1          0.00000  -0.00000   0.00776  -0.00341  -0.01267
   2    15     1         -0.00000   0.00000  -0.33415  -0.03063  -0.12542
   3    15     1          0.57596  -0.57583  -0.00000   0.00000   0.00000
   1    16     6          0.00000  -0.00000   0.04492   0.00467   0.00906
   2    16     6          0.00000  -0.00000   0.08662   0.02501  -0.00198
   3    16     6          0.00466  -0.00476  -0.00000  -0.00000  -0.00000
   1    17     1          0.00000  -0.00000   0.10159   0.01273   0.01855
   2    17     1         -0.00000   0.00000  -0.35269  -0.04473  -0.06132
   3    17     1          0.32968  -0.32881  -0.00000   0.00000   0.00000
   1    18     1         -0.00000   0.00000  -0.39825  -0.11716   0.00712
   2    18     1          0.00000  -0.00000   0.23529   0.06687  -0.00316
   3    18     1         -0.23623   0.23543   0.00000  -0.00000  -0.00000
   1    19     6         -0.00000   0.00000  -0.02525  -0.03269   0.04078
   2    19     6          0.00000  -0.00000  -0.03304  -0.05346  -0.02683
   3    19     6         -0.00319   0.00275   0.00000  -0.00000  -0.00000
   1    20     1         -0.00000   0.00000  -0.01816   0.07277   0.20076
   2    20     1          0.00000  -0.00000  -0.06925  -0.39153  -0.47937
   3    20     1          0.00534  -0.02702  -0.00000   0.00000   0.00000
                          31        32        33        34        35
                          BU        AG        BU        AG        BU
       Frequencies ---  1284.8921 1296.1971 1351.4086 1398.7635 1420.6926
    Reduced masses ---     2.3326    2.8288    5.2228    1.4216    1.3384
   Force constants ---     2.2689    2.8002    5.6199    1.6388    1.5916
    IR Intensities ---     0.0824    0.0000    9.4700    0.0000    8.2400
 Coord Atom Element:
   1     1     6         -0.05964   0.00137   0.28447  -0.09075  -0.02433
   2     1     6          0.19919   0.21461   0.07575  -0.01177   0.01303
   3     1     6         -0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1     2     6          0.08507   0.00867  -0.10794  -0.01342   0.02004
   2     2     6          0.02638   0.11759  -0.14821  -0.03938   0.02658
   3     2     6          0.00000   0.00000   0.00000  -0.00000   0.00000
   1     3     6         -0.00009  -0.06524  -0.11785   0.00648  -0.00055
   2     3     6         -0.07498  -0.09437   0.18959  -0.01315  -0.03410
   3     3     6         -0.00000  -0.00000  -0.00000   0.00000  -0.00000
   1     4     6         -0.05964  -0.00137   0.28447   0.09075  -0.02433
   2     4     6          0.19919  -0.21461   0.07575   0.01177   0.01303
   3     4     6          0.00000   0.00000   0.00000  -0.00000   0.00000
   1     5     6          0.08507  -0.00867  -0.10794   0.01342   0.02004
   2     5     6          0.02638  -0.11759  -0.14821   0.03938   0.02658
   3     5     6         -0.00000  -0.00000   0.00000  -0.00000  -0.00000
   1     6     1         -0.09680   0.22399  -0.09889   0.27170  -0.02920
   2     6     1         -0.18713   0.39624  -0.13065   0.29057  -0.03006
   3     6     1          0.00000   0.00000   0.00000   0.00000   0.00000
   1     7     1          0.15124  -0.05450   0.07518  -0.13037  -0.01782
   2     7     1         -0.50167  -0.19249  -0.38151   0.38612   0.00976
   3     7     1         -0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1     8     1         -0.09680  -0.22399  -0.09889  -0.27170  -0.02920
   2     8     1         -0.18713  -0.39624  -0.13065  -0.29057  -0.03006
   3     8     1         -0.00000  -0.00000  -0.00000   0.00000  -0.00000
   1     9     6         -0.04402   0.07666  -0.10856  -0.06593  -0.07100
   2     9     6         -0.02445   0.04892  -0.07380  -0.03225  -0.01068
   3     9     6         -0.00000   0.00000  -0.00000  -0.00000   0.00000
   1    10     6          0.00510  -0.02732   0.06122   0.05533   0.08150
   2    10     6         -0.03017   0.02621   0.02522   0.00729  -0.01434
   3    10     6          0.00000  -0.00000   0.00000   0.00000  -0.00000
   1    11     1          0.01363  -0.04994   0.10862   0.09393   0.13464
   2    11     1         -0.06734   0.15278  -0.28061  -0.22433  -0.30710
   3    11     1         -0.00000   0.00000   0.00000  -0.00000   0.00000
   1    12     1          0.00535   0.02400  -0.11494  -0.13635  -0.20042
   2    12     1         -0.32277   0.37769  -0.09879   0.27956   0.57268
   3    12     1         -0.00000   0.00000   0.00000  -0.00000   0.00000
   1    13     1          0.08840  -0.00990  -0.10503  -0.01639   0.04541
   2    13     1         -0.06379   0.02856   0.07541   0.02612  -0.01294
   3    13     1          0.00000  -0.00000  -0.00000   0.00000  -0.00000
   1    14     6         -0.04402  -0.07666  -0.10856   0.06593  -0.07100
   2    14     6         -0.02445  -0.04892  -0.07380   0.03225  -0.01068
   3    14     6          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    15     1          0.00535  -0.02400  -0.11494   0.13635  -0.20042
   2    15     1         -0.32277  -0.37769  -0.09879  -0.27956   0.57268
   3    15     1          0.00000   0.00000   0.00000   0.00000   0.00000
   1    16     6          0.00510   0.02732   0.06122  -0.05533   0.08150
   2    16     6         -0.03017  -0.02621   0.02522  -0.00729  -0.01434
   3    16     6         -0.00000  -0.00000   0.00000  -0.00000   0.00000
   1    17     1          0.01363   0.04994   0.10862  -0.09393   0.13464
   2    17     1         -0.06734  -0.15278  -0.28061   0.22433  -0.30710
   3    17     1          0.00000   0.00000   0.00000   0.00000   0.00000
   1    18     1          0.08840   0.00990  -0.10503   0.01639   0.04541
   2    18     1         -0.06379  -0.02856   0.07541  -0.02612  -0.01294
   3    18     1         -0.00000   0.00000  -0.00000  -0.00000  -0.00000
   1    19     6         -0.00009   0.06524  -0.11785  -0.00648  -0.00055
   2    19     6         -0.07498   0.09437   0.18959   0.01315  -0.03410
   3    19     6          0.00000   0.00000  -0.00000   0.00000   0.00000
   1    20     1          0.15124   0.05450   0.07518   0.13037  -0.01782
   2    20     1         -0.50167   0.19249  -0.38151  -0.38612   0.00976
   3    20     1         -0.00000  -0.00000   0.00000  -0.00000   0.00000
                          36        37        38        39        40
                          AG        BU        AG        BU        BU
       Frequencies ---  1426.7905 1515.0584 1565.6748 1575.3215 1641.3151
    Reduced masses ---     1.2532    2.5521    1.3010    1.2967    2.4971
   Force constants ---     1.5031    3.4515    1.8790    1.8960    3.9634
    IR Intensities ---     0.0000   18.8008    0.0000    0.5560   15.0494
 Coord Atom Element:
   1     1     6          0.05464   0.13463   0.02202   0.04421   0.04521
   2     1     6         -0.00225  -0.00904   0.03040  -0.02210   0.15996
   3     1     6          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1     2     6          0.01521   0.02084  -0.01650  -0.02271  -0.11699
   2     2     6          0.01728   0.15776   0.00454   0.02666  -0.06488
   3     2     6         -0.00000  -0.00000  -0.00000   0.00000   0.00000
   1     3     6         -0.01140  -0.07276   0.01176  -0.00171   0.07549
   2     3     6          0.02139  -0.12362  -0.02832  -0.03983  -0.11901
   3     3     6          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1     4     6         -0.05464   0.13463  -0.02202   0.04421   0.04521
   2     4     6          0.00225  -0.00904  -0.03040  -0.02210   0.15996
   3     4     6         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1     5     6         -0.01521   0.02084   0.01650  -0.02271  -0.11699
   2     5     6         -0.01728   0.15776  -0.00454   0.02666  -0.06488
   3     5     6          0.00000   0.00000  -0.00000  -0.00000  -0.00000
   1     6     1         -0.17777  -0.39641   0.00399  -0.02318   0.23073
   2     6     1         -0.20831  -0.30247   0.03408   0.03765   0.36906
   3     6     1         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1     7     1          0.08811  -0.21839  -0.01495  -0.06623  -0.10721
   2     7     1         -0.27092   0.22666   0.04911   0.13500   0.45221
   3     7     1          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1     8     1          0.17777  -0.39641  -0.00399  -0.02318   0.23073
   2     8     1          0.20831  -0.30247  -0.03408   0.03765   0.36906
   3     8     1          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1     9     6         -0.04850  -0.00105  -0.02539  -0.03019  -0.02167
   2     9     6          0.00224  -0.07000   0.09764   0.07846  -0.03358
   3     9     6          0.00000  -0.00000  -0.00000   0.00000   0.00000
   1    10     6          0.06593  -0.00919  -0.02268  -0.02647   0.02015
   2    10     6         -0.01865   0.03397  -0.00005   0.01069  -0.01870
   3    10     6         -0.00000   0.00000  -0.00000  -0.00000  -0.00000
   1    11     1          0.10615  -0.03271   0.04653   0.04208   0.00602
   2    11     1         -0.23285   0.14311  -0.41401  -0.41032   0.08932
   3    11     1          0.00000  -0.00000  -0.00000   0.00000   0.00000
   1    12     1         -0.15651  -0.00125   0.03261   0.03282  -0.02781
   2    12     1          0.49031  -0.04844  -0.20521  -0.24582  -0.03095
   3    12     1         -0.00000  -0.00000  -0.00000   0.00000   0.00000
   1    13     1          0.04349  -0.21400   0.48366   0.45351  -0.12770
   2    13     1         -0.02033   0.11120  -0.17940  -0.15806   0.02793
   3    13     1         -0.00000   0.00000   0.00000  -0.00000  -0.00000
   1    14     6          0.04850  -0.00105   0.02539  -0.03019  -0.02167
   2    14     6         -0.00224  -0.07000  -0.09764   0.07846  -0.03358
   3    14     6          0.00000   0.00000  -0.00000  -0.00000  -0.00000
   1    15     1          0.15651  -0.00125  -0.03261   0.03282  -0.02781
   2    15     1         -0.49031  -0.04844   0.20521  -0.24582  -0.03095
   3    15     1         -0.00000  -0.00000  -0.00000   0.00000   0.00000
   1    16     6         -0.06593  -0.00919   0.02268  -0.02647   0.02015
   2    16     6          0.01865   0.03397   0.00005   0.01069  -0.01870
   3    16     6         -0.00000   0.00000  -0.00000  -0.00000   0.00000
   1    17     1         -0.10615  -0.03271  -0.04653   0.04208   0.00602
   2    17     1          0.23285   0.14311   0.41401  -0.41032   0.08932
   3    17     1         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1    18     1         -0.04349  -0.21400  -0.48366   0.45351  -0.12770
   2    18     1          0.02033   0.11120   0.17940  -0.15806   0.02793
   3    18     1          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1    19     6          0.01140  -0.07276  -0.01176  -0.00171   0.07549
   2    19     6         -0.02139  -0.12362   0.02832  -0.03983  -0.11901
   3    19     6          0.00000   0.00000  -0.00000   0.00000   0.00000
   1    20     1         -0.08811  -0.21839   0.01495  -0.06623  -0.10721
   2    20     1          0.27092   0.22666  -0.04911   0.13500   0.45221
   3    20     1         -0.00000  -0.00000   0.00000   0.00000   0.00000
                          41        42        43        44        45
                          AG        AG        AG        BU        BU
       Frequencies ---  1691.3872 1740.0942 1814.4584 1815.3382 3396.4292
    Reduced masses ---     5.1086    5.6180    3.9778    3.9411    1.0630
   Force constants ---     8.6108   10.0225    7.7160    7.6522    7.2247
    IR Intensities ---     0.0000    0.0000    0.0000    1.4866   98.3271
 Coord Atom Element:
   1     1     6          0.30119   0.02213  -0.06240   0.02738  -0.00018
   2     1     6         -0.04126   0.19015   0.02017  -0.05008  -0.00005
   3     1     6         -0.00000   0.00000   0.00000   0.00000   0.00000
   1     2     6         -0.20311  -0.11622   0.04708   0.00045   0.00120
   2     2     6         -0.05482  -0.26057   0.04387   0.02024  -0.00088
   3     2     6          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1     3     6          0.16458  -0.02599  -0.02224  -0.00963  -0.00082
   2     3     6         -0.12914   0.29431  -0.03600  -0.01050  -0.00007
   3     3     6         -0.00000   0.00000   0.00000   0.00000   0.00000
   1     4     6         -0.30119  -0.02213   0.06240   0.02738  -0.00018
   2     4     6          0.04126  -0.19015  -0.02017  -0.05008  -0.00005
   3     4     6          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1     5     6          0.20311   0.11622  -0.04708   0.00045   0.00120
   2     5     6          0.05482   0.26057  -0.04387   0.02024  -0.00088
   3     5     6         -0.00000   0.00000   0.00000   0.00000  -0.00000
   1     6     1          0.08277   0.30439  -0.01556  -0.05505  -0.01130
   2     6     1          0.31935   0.21067  -0.03409  -0.03695   0.00888
   3     6     1          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1     7     1          0.04160   0.20035  -0.04484  -0.02198   0.00946
   2     7     1          0.29833  -0.32066   0.00789   0.01241   0.00289
   3     7     1         -0.00000   0.00000   0.00000   0.00000   0.00000
   1     8     1         -0.08277  -0.30439   0.01556  -0.05505  -0.01130
   2     8     1         -0.31935  -0.21067   0.03409  -0.03695   0.00888
   3     8     1         -0.00000   0.00000   0.00000   0.00000   0.00000
   1     9     6          0.00801  -0.01142  -0.13785  -0.13587  -0.01043
   2     9     6          0.03311   0.05731   0.22031   0.22908  -0.00767
   3     9     6          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    10     6          0.03917   0.01695   0.14859   0.14949  -0.03040
   2    10     6         -0.05827  -0.02570  -0.18774  -0.19045   0.03760
   3    10     6         -0.00000   0.00000  -0.00000   0.00000   0.00000
   1    11     1          0.00252   0.00808   0.10742   0.10758   0.47451
   2    11     1          0.23110   0.07057   0.37897   0.38587   0.07096
   3    11     1          0.00000  -0.00000  -0.00000  -0.00000   0.00000
   1    12     1         -0.02490   0.01026  -0.06892  -0.06674   0.16925
   2    12     1          0.16771  -0.05705  -0.28189  -0.27305   0.03345
   3    12     1         -0.00000   0.00000  -0.00000  -0.00000   0.00000
   1    13     1         -0.17796  -0.04251  -0.34330  -0.34272  -0.15805
   2    13     1          0.00831  -0.00942  -0.06480  -0.06785  -0.46071
   3    13     1          0.00000  -0.00000   0.00000   0.00000  -0.00000
   1    14     6         -0.00801   0.01142   0.13785  -0.13587  -0.01043
   2    14     6         -0.03311  -0.05731  -0.22031   0.22908  -0.00767
   3    14     6         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1    15     1          0.02490  -0.01026   0.06892  -0.06674   0.16925
   2    15     1         -0.16771   0.05705   0.28189  -0.27305   0.03345
   3    15     1          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    16     6         -0.03917  -0.01695  -0.14859   0.14949  -0.03040
   2    16     6          0.05827   0.02570   0.18774  -0.19045   0.03760
   3    16     6          0.00000   0.00000  -0.00000  -0.00000  -0.00000
   1    17     1         -0.00252  -0.00808  -0.10742   0.10758   0.47451
   2    17     1         -0.23110  -0.07057  -0.37897   0.38587   0.07096
   3    17     1          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    18     1          0.17796   0.04251   0.34330  -0.34272  -0.15805
   2    18     1         -0.00831   0.00942   0.06480  -0.06785  -0.46071
   3    18     1         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1    19     6         -0.16458   0.02599   0.02224  -0.00963  -0.00082
   2    19     6          0.12914  -0.29431   0.03600  -0.01050  -0.00007
   3    19     6          0.00000   0.00000   0.00000  -0.00000   0.00000
   1    20     1         -0.04160  -0.20035   0.04484  -0.02198   0.00946
   2    20     1         -0.29833   0.32066  -0.00789   0.01241   0.00289
   3    20     1          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
                          46        47        48        49        50
                          AG        BU        AG        BU        AG
       Frequencies ---  3397.1474 3437.7395 3437.7857 3447.2135 3450.7344
    Reduced masses ---     1.0629    1.0978    1.0978    1.0917    1.0916
   Force constants ---     7.2274    7.6439    7.6443    7.6433    7.6581
    IR Intensities ---     0.0000    4.3943    0.0000    0.7808    0.0000
 Coord Atom Element:
   1     1     6          0.00017   0.00043  -0.00041   0.00072  -0.00280
   2     1     6          0.00008   0.00161  -0.00161  -0.00229   0.00151
   3     1     6          0.00000   0.00000   0.00000   0.00000   0.00000
   1     2     6         -0.00104   0.00078   0.00071   0.02410   0.02347
   2     2     6          0.00059  -0.00009  -0.00078  -0.01674  -0.01683
   3     2     6         -0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1     3     6         -0.00027  -0.00240  -0.00282  -0.05173  -0.05175
   2     3     6          0.00013  -0.00080  -0.00097  -0.01621  -0.01665
   3     3     6          0.00000   0.00000   0.00000   0.00000   0.00000
   1     4     6         -0.00017   0.00043   0.00041   0.00072   0.00280
   2     4     6         -0.00008   0.00161   0.00161  -0.00229  -0.00151
   3     4     6         -0.00000  -0.00000  -0.00000   0.00000   0.00000
   1     5     6          0.00104   0.00078  -0.00071   0.02410  -0.02347
   2     5     6         -0.00059  -0.00009   0.00078  -0.01674   0.01683
   3     5     6          0.00000   0.00000   0.00000   0.00000   0.00000
   1     6     1          0.00788  -0.00671  -0.00809  -0.26217  -0.25965
   2     6     1         -0.00599   0.00539   0.00651   0.22019   0.21915
   3     6     1          0.00000  -0.00000  -0.00000  -0.00000   0.00000
   1     7     1          0.00186   0.02774   0.03300   0.58179   0.58289
   2     7     1          0.00049   0.00830   0.01026   0.19844   0.19934
   3     7     1          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1     8     1         -0.00788  -0.00671   0.00809  -0.26217   0.25965
   2     8     1          0.00599   0.00539  -0.00651   0.22019  -0.21915
   3     8     1          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1     9     6         -0.01033  -0.06091  -0.06094   0.00296   0.00290
   2     9     6         -0.00762  -0.00840  -0.00843   0.00036   0.00047
   3     9     6         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1    10     6         -0.03038   0.01404   0.01395  -0.00021  -0.00048
   2    10     6          0.03764  -0.01024  -0.01006  -0.00053   0.00095
   3    10     6          0.00000   0.00000   0.00000  -0.00000  -0.00000
   1    11     1          0.47507  -0.14662  -0.14480  -0.00308   0.00780
   2    11     1          0.07102  -0.02418  -0.02392  -0.00070   0.00142
   3    11     1          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    12     1          0.16718   0.66769   0.66809  -0.03153  -0.03288
   2    12     1          0.03313   0.13573   0.13581  -0.00502  -0.00613
   3    12     1          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    13     1         -0.15827   0.03017   0.02946   0.00272  -0.00281
   2    13     1         -0.46104   0.08814   0.08612   0.00874  -0.00802
   3    13     1         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1    14     6          0.01033  -0.06091   0.06094   0.00296  -0.00290
   2    14     6          0.00762  -0.00840   0.00843   0.00036  -0.00047
   3    14     6         -0.00000  -0.00000   0.00000   0.00000   0.00000
   1    15     1         -0.16718   0.66769  -0.66809  -0.03153   0.03288
   2    15     1         -0.03313   0.13573  -0.13581  -0.00502   0.00613
   3    15     1         -0.00000  -0.00000  -0.00000   0.00000   0.00000
   1    16     6          0.03038   0.01404  -0.01395  -0.00021   0.00048
   2    16     6         -0.03764  -0.01024   0.01006  -0.00053  -0.00095
   3    16     6          0.00000   0.00000  -0.00000  -0.00000  -0.00000
   1    17     1         -0.47507  -0.14662   0.14480  -0.00308  -0.00780
   2    17     1         -0.07102  -0.02418   0.02392  -0.00070  -0.00142
   3    17     1         -0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    18     1          0.15827   0.03017  -0.02946   0.00272   0.00281
   2    18     1          0.46104   0.08814  -0.08612   0.00874   0.00802
   3    18     1         -0.00000   0.00000   0.00000   0.00000   0.00000
   1    19     6          0.00027  -0.00240   0.00282  -0.05173   0.05175
   2    19     6         -0.00013  -0.00080   0.00097  -0.01621   0.01665
   3    19     6          0.00000  -0.00000  -0.00000  -0.00000  -0.00000
   1    20     1         -0.00186   0.02774  -0.03300   0.58179  -0.58289
   2    20     1         -0.00049   0.00830  -0.01026   0.19844  -0.19934
   3    20     1          0.00000   0.00000   0.00000  -0.00000  -0.00000
                          51        52        53        54
                          BU        AG        BU        AG
       Frequencies ---  3467.0890 3470.0274 3548.3199 3548.3320
    Reduced masses ---     1.0986    1.0995    1.1182    1.1182
   Force constants ---     7.7807    7.8004    8.2953    8.2953
    IR Intensities ---     5.9042    0.0000    0.0040    0.0000
 Coord Atom Element:
   1     1     6          0.00403   0.00135  -0.00014   0.00015
   2     1     6         -0.00032   0.00229   0.00035  -0.00035
   3     1     6          0.00000   0.00000   0.00000   0.00000
   1     2     6         -0.04135  -0.04181  -0.00028   0.00037
   2     2     6          0.03721   0.03731   0.00024  -0.00034
   3     2     6         -0.00000  -0.00000  -0.00000   0.00000
   1     3     6         -0.02910  -0.02935   0.00004   0.00010
   2     3     6         -0.01304  -0.01263  -0.00002   0.00007
   3     3     6         -0.00000  -0.00000   0.00000  -0.00000
   1     4     6          0.00403  -0.00135  -0.00014  -0.00015
   2     4     6         -0.00032  -0.00229   0.00035   0.00035
   3     4     6          0.00000   0.00000  -0.00000   0.00000
   1     5     6         -0.04135   0.04181  -0.00028  -0.00037
   2     5     6          0.03721  -0.03731   0.00024   0.00034
   3     5     6         -0.00000  -0.00000   0.00000  -0.00000
   1     6     1          0.46941   0.47086   0.00450  -0.00559
   2     6     1         -0.39885  -0.39965  -0.00336   0.00433
   3     6     1          0.00000   0.00000  -0.00000   0.00000
   1     7     1          0.32219   0.31949   0.00013  -0.00069
   2     7     1          0.11177   0.11017  -0.00008  -0.00026
   3     7     1         -0.00000  -0.00000   0.00000  -0.00000
   1     8     1          0.46941  -0.47086   0.00450   0.00559
   2     8     1         -0.39885   0.39965  -0.00336  -0.00433
   3     8     1         -0.00000  -0.00000   0.00000  -0.00000
   1     9     6          0.00015   0.00103  -0.00352  -0.00354
   2     9     6          0.00017   0.00007  -0.00060  -0.00059
   3     9     6          0.00000   0.00000   0.00000  -0.00000
   1    10     6          0.00013  -0.00039  -0.05402  -0.05401
   2    10     6          0.00091  -0.00085  -0.04573  -0.04573
   3    10     6         -0.00000  -0.00000   0.00000  -0.00000
   1    11     1          0.00391  -0.00112   0.48899   0.48899
   2    11     1          0.00095  -0.00055   0.06759   0.06759
   3    11     1         -0.00000  -0.00000  -0.00000   0.00000
   1    12     1         -0.00478  -0.00900   0.04020   0.04031
   2    12     1         -0.00142  -0.00037   0.00615   0.00616
   3    12     1         -0.00000  -0.00000  -0.00000   0.00000
   1    13     1         -0.00315   0.00313   0.15591   0.15590
   2    13     1         -0.00929   0.01011   0.47466   0.47464
   3    13     1          0.00000   0.00000   0.00000   0.00000
   1    14     6          0.00015  -0.00103  -0.00352   0.00354
   2    14     6          0.00017  -0.00007  -0.00060   0.00059
   3    14     6         -0.00000  -0.00000  -0.00000  -0.00000
   1    15     1         -0.00478   0.00900   0.04020  -0.04031
   2    15     1         -0.00142   0.00037   0.00615  -0.00616
   3    15     1         -0.00000  -0.00000  -0.00000  -0.00000
   1    16     6          0.00013   0.00039  -0.05402   0.05401
   2    16     6          0.00091   0.00085  -0.04573   0.04573
   3    16     6          0.00000   0.00000   0.00000   0.00000
   1    17     1          0.00391   0.00112   0.48899  -0.48899
   2    17     1          0.00095   0.00055   0.06759  -0.06759
   3    17     1         -0.00000  -0.00000  -0.00000  -0.00000
   1    18     1         -0.00315  -0.00313   0.15591  -0.15590
   2    18     1         -0.00929  -0.01011   0.47466  -0.47464
   3    18     1          0.00000   0.00000   0.00000  -0.00000
   1    19     6         -0.02910   0.02935   0.00004  -0.00010
   2    19     6         -0.01304   0.01263  -0.00002  -0.00007
   3    19     6          0.00000  -0.00000   0.00000  -0.00000
   1    20     1          0.32219  -0.31949   0.00013   0.00069
   2    20     1          0.11177  -0.11017  -0.00008   0.00026
   3    20     1          0.00000   0.00000  -0.00000   0.00000
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                     AU                     BG                     AU
 Frequencies --     53.1981                84.7415               149.4005
 Red. masses --      3.2266                 2.4837                 2.0822
 Frc consts  --      0.0054                 0.0105                 0.0274
 IR Inten    --      0.0342                 0.0000                 0.3727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.08    -0.00   0.00   0.09    -0.00  -0.00  -0.03
     2   6     0.00   0.00  -0.10    -0.00  -0.00   0.13    -0.00  -0.00  -0.09
     3   6     0.00   0.00  -0.10    -0.00  -0.00   0.04    -0.00  -0.00  -0.08
     4   6     0.00  -0.00  -0.08    -0.00  -0.00  -0.09    -0.00  -0.00  -0.03
     5   6     0.00   0.00  -0.10    -0.00   0.00  -0.13    -0.00  -0.00  -0.09
     6   1     0.00  -0.00  -0.10    -0.00  -0.00   0.25    -0.00   0.00  -0.08
     7   1     0.00  -0.00  -0.11    -0.00  -0.00   0.08    -0.00  -0.00  -0.06
     8   1     0.00   0.00  -0.10    -0.00   0.00  -0.25    -0.00  -0.00  -0.08
     9   6    -0.00  -0.00  -0.02     0.00  -0.00  -0.14     0.00  -0.00   0.18
    10   6    -0.00  -0.00   0.27     0.00  -0.00   0.15     0.00   0.00   0.00
    11   1    -0.00  -0.00   0.49     0.00   0.00   0.45     0.00   0.00  -0.36
    12   1    -0.00   0.00  -0.20     0.00  -0.00  -0.40     0.00  -0.00   0.52
    13   1    -0.00  -0.00   0.31     0.00  -0.00   0.10     0.00   0.00   0.21
    14   6     0.00   0.00  -0.02    -0.00  -0.00   0.14     0.00  -0.00   0.18
    15   1    -0.00   0.00  -0.20     0.00  -0.00   0.40     0.00  -0.00   0.52
    16   6    -0.00  -0.00   0.27     0.00   0.00  -0.15     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.49     0.00   0.00  -0.45     0.00   0.00  -0.36
    18   1    -0.00  -0.00   0.31     0.00   0.00  -0.10     0.00   0.00   0.21
    19   6     0.00   0.00  -0.10    -0.00   0.00  -0.04    -0.00  -0.00  -0.08
    20   1     0.00   0.00  -0.11    -0.00   0.00  -0.08    -0.00  -0.00  -0.06
                      4                      5                      6
                     BU                     AG                     BG
 Frequencies --    179.3403               263.3734               298.4125
 Red. masses --      3.3848                 3.2244                 2.3483
 Frc consts  --      0.0641                 0.1318                 0.1232
 IR Inten    --      0.2687                 0.0000                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.02   0.00     0.12  -0.05   0.00    -0.00   0.00   0.18
     2   6    -0.11  -0.01   0.00     0.08   0.07   0.00    -0.00  -0.00   0.10
     3   6    -0.11  -0.02   0.00    -0.06   0.10  -0.00     0.00  -0.00  -0.12
     4   6    -0.10  -0.02   0.00    -0.12   0.05  -0.00     0.00  -0.00  -0.18
     5   6    -0.11  -0.01   0.00    -0.08  -0.07  -0.00     0.00   0.00  -0.10
     6   1    -0.11  -0.00   0.00     0.15   0.14   0.00    -0.00  -0.00   0.13
     7   1    -0.12  -0.02   0.00    -0.09   0.19  -0.00     0.00  -0.00  -0.18
     8   1    -0.11  -0.00   0.00    -0.15  -0.14  -0.00     0.00   0.00  -0.13
     9   6     0.05  -0.05  -0.00    -0.05   0.04  -0.00     0.00  -0.00   0.05
    10   6     0.24   0.10  -0.00     0.12   0.20   0.00    -0.00  -0.00   0.03
    11   1     0.21   0.29   0.00     0.09   0.41  -0.00    -0.00  -0.00  -0.32
    12   1     0.09  -0.22  -0.00    -0.03  -0.09   0.00     0.00   0.00   0.40
    13   1     0.43   0.03  -0.00     0.33   0.13   0.00    -0.00  -0.00   0.36
    14   6     0.05  -0.05  -0.00     0.05  -0.04   0.00    -0.00   0.00  -0.05
    15   1     0.09  -0.22  -0.00     0.03   0.09   0.00    -0.00  -0.00  -0.40
    16   6     0.24   0.10   0.00    -0.12  -0.20  -0.00     0.00   0.00  -0.03
    17   1     0.21   0.29   0.00    -0.09  -0.41  -0.00     0.00   0.00   0.32
    18   1     0.43   0.03  -0.00    -0.33  -0.13  -0.00     0.00   0.00  -0.36
    19   6    -0.11  -0.02   0.00     0.06  -0.10   0.00    -0.00   0.00   0.12
    20   1    -0.12  -0.02   0.00     0.09  -0.19  -0.00    -0.00   0.00   0.18
                      7                      8                      9
                     AG                     AU                     AU
 Frequencies --    407.5760               424.1455               467.7542
 Red. masses --      4.7968                 3.0368                 2.2518
 Frc consts  --      0.4695                 0.3219                 0.2903
 IR Inten    --      0.0000                 0.1000                 5.8039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14  -0.13  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.20
     2   6    -0.16  -0.06  -0.00     0.00   0.00   0.22     0.00   0.00  -0.06
     3   6     0.00  -0.05   0.00     0.00   0.00  -0.21    -0.00   0.00  -0.09
     4   6     0.14   0.13  -0.00     0.00   0.00  -0.02    -0.00   0.00   0.20
     5   6     0.16   0.06  -0.00     0.00  -0.00   0.22    -0.00   0.00  -0.06
     6   1    -0.16  -0.07  -0.00     0.00   0.00   0.49     0.00   0.00  -0.28
     7   1     0.08  -0.25   0.00     0.00   0.00  -0.41    -0.00   0.00  -0.34
     8   1     0.16   0.07   0.00     0.00  -0.00   0.49    -0.00  -0.00  -0.28
     9   6     0.00   0.24   0.00    -0.00   0.00   0.00     0.00   0.00   0.07
    10   6    -0.08   0.20   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.03
    11   1    -0.08   0.15  -0.00    -0.00   0.00  -0.05     0.00  -0.00   0.24
    12   1    -0.02   0.36   0.00    -0.00   0.00   0.02     0.00   0.00  -0.20
    13   1    -0.14   0.22  -0.00     0.00   0.00   0.04    -0.00  -0.00  -0.38
    14   6    -0.00  -0.24   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.07
    15   1     0.02  -0.36  -0.00    -0.00  -0.00   0.02    -0.00  -0.00  -0.20
    16   6     0.08  -0.20   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.03
    17   1     0.08  -0.15   0.00    -0.00   0.00  -0.05    -0.00   0.00   0.24
    18   1     0.14  -0.22   0.00     0.00  -0.00   0.04     0.00  -0.00  -0.38
    19   6    -0.00   0.05   0.00     0.00  -0.00  -0.21     0.00  -0.00  -0.09
    20   1    -0.08   0.25   0.00     0.00   0.00  -0.41     0.00   0.00  -0.34
                     10                     11                     12
                     BU                     AG                     BG
 Frequencies --    486.7028               578.5256               656.3315
 Red. masses --      3.2427                 2.8270                 2.0741
 Frc consts  --      0.4526                 0.5575                 0.5264
 IR Inten    --      1.8993                 0.0000                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.00     0.06  -0.12  -0.00     0.00   0.00   0.04
     2   6     0.07  -0.10  -0.00     0.02   0.02   0.00     0.00  -0.00  -0.11
     3   6     0.07  -0.09   0.00    -0.13   0.07   0.00    -0.00  -0.00   0.12
     4   6     0.04  -0.06  -0.00    -0.06   0.12   0.00    -0.00   0.00  -0.04
     5   6     0.07  -0.10  -0.00    -0.02  -0.02   0.00    -0.00   0.00   0.11
     6   1     0.08  -0.10  -0.00     0.16   0.18  -0.00     0.00  -0.00  -0.19
     7   1     0.08  -0.10   0.00    -0.14   0.09  -0.00    -0.00   0.00   0.16
     8   1     0.08  -0.10   0.00    -0.16  -0.18  -0.00    -0.00   0.00   0.19
     9   6    -0.17   0.03   0.00     0.17   0.09  -0.00    -0.00  -0.00  -0.14
    10   6    -0.03   0.19  -0.00     0.02  -0.06   0.00    -0.00  -0.00   0.02
    11   1    -0.07   0.50   0.00     0.07  -0.43  -0.00    -0.00  -0.00  -0.30
    12   1    -0.18   0.06  -0.00     0.18   0.04   0.00    -0.00  -0.00   0.19
    13   1     0.26   0.09  -0.00    -0.32   0.05   0.00     0.00  -0.00   0.51
    14   6    -0.17   0.03   0.00    -0.17  -0.09  -0.00    -0.00  -0.00   0.14
    15   1    -0.18   0.06  -0.00    -0.18  -0.04   0.00    -0.00  -0.00  -0.19
    16   6    -0.03   0.19  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.02
    17   1    -0.07   0.50   0.00    -0.07   0.43  -0.00     0.00  -0.00   0.30
    18   1     0.26   0.09  -0.00     0.32  -0.05   0.00     0.00  -0.00  -0.51
    19   6     0.07  -0.09  -0.00     0.13  -0.07   0.00     0.00   0.00  -0.12
    20   1     0.08  -0.10   0.00     0.14  -0.09  -0.00     0.00   0.00  -0.16
                     13                     14                     15
                     AG                     AU                     BU
 Frequencies --    673.6048               706.3769               735.1513
 Red. masses --      6.9110                 1.4889                 3.1842
 Frc consts  --      1.8476                 0.4377                 1.0139
 IR Inten    --      0.0000                 0.4352                 4.3442
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.00  -0.00    -0.00   0.00   0.09     0.00   0.02  -0.00
     2   6    -0.16   0.33  -0.00    -0.00   0.00   0.02    -0.03  -0.13  -0.00
     3   6     0.24   0.25  -0.00     0.00   0.00   0.02    -0.07  -0.13  -0.00
     4   6     0.11  -0.00  -0.00     0.00  -0.00   0.09     0.00   0.02  -0.00
     5   6     0.16  -0.33  -0.00     0.00  -0.00   0.02    -0.03  -0.13  -0.00
     6   1    -0.22   0.26   0.00    -0.00   0.00  -0.31    -0.09  -0.20   0.00
     7   1     0.28   0.14   0.00     0.00  -0.00  -0.31    -0.04  -0.22   0.00
     8   1     0.22  -0.26   0.00     0.00  -0.00  -0.31    -0.09  -0.20   0.00
     9   6     0.05   0.01   0.00     0.00   0.00  -0.12     0.13   0.18   0.00
    10   6     0.04  -0.02  -0.00     0.00   0.00   0.02    -0.01   0.09  -0.00
    11   1     0.05  -0.12   0.00     0.00  -0.00  -0.25     0.04  -0.27   0.00
    12   1     0.06  -0.00  -0.00     0.00   0.00   0.18     0.14   0.18  -0.00
    13   1    -0.04   0.00  -0.00    -0.00   0.00   0.44    -0.36   0.21  -0.00
    14   6    -0.05  -0.01   0.00     0.00   0.00  -0.12     0.13   0.18   0.00
    15   1    -0.06   0.00  -0.00     0.00   0.00   0.18     0.14   0.18  -0.00
    16   6    -0.04   0.02  -0.00    -0.00   0.00   0.02    -0.01   0.09  -0.00
    17   1    -0.05   0.12   0.00    -0.00  -0.00  -0.25     0.04  -0.27   0.00
    18   1     0.04  -0.00  -0.00    -0.00   0.00   0.44    -0.36   0.21  -0.00
    19   6    -0.24  -0.25  -0.00    -0.00  -0.00   0.02    -0.07  -0.13  -0.00
    20   1    -0.28  -0.14   0.00    -0.00  -0.00  -0.31    -0.04  -0.22   0.00
                     16                     17                     18
                     BG                     AG                     BG
 Frequencies --    810.2004               862.7014               895.2722
 Red. masses --      3.3325                 4.4427                 1.2562
 Frc consts  --      1.2889                 1.9481                 0.5932
 IR Inten    --      0.0000                 0.0000                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.26     0.02   0.08  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.11     0.25  -0.08   0.00    -0.00  -0.00  -0.08
     3   6    -0.00   0.00   0.11     0.25  -0.00   0.00     0.00  -0.00  -0.07
     4   6    -0.00   0.00  -0.26    -0.02  -0.08  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.11    -0.25   0.08   0.00     0.00   0.00   0.08
     6   1     0.00   0.00  -0.28     0.15  -0.21  -0.00    -0.00  -0.00   0.50
     7   1    -0.00   0.00   0.29     0.19   0.20  -0.00     0.00  -0.00   0.49
     8   1     0.00   0.00   0.28    -0.15   0.21  -0.00     0.00   0.00  -0.50
     9   6     0.00  -0.00   0.12     0.08   0.11   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.01    -0.00   0.08   0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00   0.21     0.04  -0.21   0.00    -0.00   0.00  -0.01
    12   1    -0.00  -0.00  -0.16     0.09   0.11  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00  -0.41    -0.31   0.18  -0.00     0.00  -0.00   0.02
    14   6    -0.00  -0.00  -0.12    -0.08  -0.11   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.16    -0.09  -0.11   0.00     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.01     0.00  -0.08  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.21    -0.04   0.21   0.00     0.00   0.00   0.01
    18   1     0.00  -0.00   0.41     0.31  -0.18   0.00    -0.00   0.00  -0.02
    19   6     0.00   0.00  -0.11    -0.25   0.00   0.00     0.00   0.00   0.07
    20   1     0.00  -0.00  -0.29    -0.19  -0.20  -0.00    -0.00   0.00  -0.49
                     19                     20                     21
                     AU                     BG                     AU
 Frequencies --    897.2895               980.3970               980.5050
 Red. masses --      1.6957                 1.3643                 1.3669
 Frc consts  --      0.8044                 0.7726                 0.7743
 IR Inten    --     26.3680                 0.0000                36.2383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.12    -0.00   0.00   0.00     0.00  -0.00  -0.01
     2   6     0.00   0.00  -0.08     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.07     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.12     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.00  -0.00  -0.08    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   1     0.00   0.00   0.47     0.00  -0.00  -0.01    -0.00  -0.00  -0.02
     7   1    -0.00   0.00   0.46     0.00  -0.00   0.00    -0.00   0.00   0.01
     8   1    -0.00  -0.00   0.47     0.00   0.00   0.01    -0.00  -0.00  -0.02
     9   6     0.00  -0.00  -0.06     0.00   0.00   0.04     0.00  -0.00   0.04
    10   6     0.00  -0.00   0.00    -0.00  -0.00  -0.12     0.00   0.00  -0.12
    11   1     0.00  -0.00  -0.07    -0.00   0.00   0.50     0.00   0.00   0.50
    12   1     0.00  -0.00   0.04     0.00   0.00  -0.02     0.00  -0.00  -0.02
    13   1    -0.00   0.00   0.19     0.00  -0.00   0.49    -0.00   0.00   0.49
    14   6    -0.00  -0.00  -0.06    -0.00   0.00  -0.04     0.00   0.00   0.04
    15   1    -0.00  -0.00   0.04     0.00  -0.00   0.02     0.00   0.00  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.12    -0.00  -0.00  -0.12
    17   1    -0.00  -0.00  -0.07     0.00   0.00  -0.50    -0.00  -0.00   0.50
    18   1     0.00  -0.00   0.19     0.00   0.00  -0.49    -0.00   0.00   0.49
    19   6    -0.00  -0.00  -0.07    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.46    -0.00  -0.00  -0.00     0.00   0.00   0.01
                     22                     23                     24
                     BG                     AU                     BU
 Frequencies --   1019.6139              1038.1332              1073.4696
 Red. masses --      1.2586                 1.3328                 2.9163
 Frc consts  --      0.7709                 0.8463                 1.9800
 IR Inten    --      0.0000                 0.0158                 0.5778
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.00  -0.00   0.00    -0.02  -0.04   0.00
     2   6     0.00  -0.00   0.07    -0.00   0.00   0.09    -0.18   0.06   0.00
     3   6    -0.00  -0.00  -0.07     0.00   0.00  -0.09     0.21  -0.00   0.00
     4   6    -0.00  -0.00   0.02     0.00   0.00   0.00    -0.02  -0.04   0.00
     5   6     0.00  -0.00  -0.07    -0.00   0.00   0.09    -0.18   0.06  -0.00
     6   1     0.00   0.00  -0.48    -0.00  -0.00  -0.48    -0.41  -0.19  -0.00
     7   1    -0.00   0.00   0.50     0.00  -0.00   0.50     0.31  -0.27   0.00
     8   1     0.00   0.00   0.48    -0.00  -0.00  -0.48    -0.41  -0.19   0.00
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.03   0.00
    11   1     0.00  -0.00  -0.03    -0.00   0.00  -0.02     0.03  -0.11  -0.00
    12   1     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.05   0.00
    13   1    -0.00   0.00   0.03     0.00  -0.00  -0.01    -0.13   0.08  -0.00
    14   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    15   1    -0.00   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.05   0.00
    16   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.03   0.00
    17   1    -0.00  -0.00   0.03     0.00  -0.00  -0.02     0.03  -0.11   0.00
    18   1     0.00  -0.00  -0.03    -0.00   0.00  -0.01    -0.13   0.08  -0.00
    19   6    -0.00   0.00   0.07     0.00  -0.00  -0.09     0.21  -0.00   0.00
    20   1    -0.00   0.00  -0.50     0.00  -0.00   0.50     0.31  -0.27  -0.00
                     25                     26                     27
                     BU                     AU                     BG
 Frequencies --   1101.5128              1106.0043              1106.1583
 Red. masses --      1.4461                 1.0901                 1.0915
 Frc consts  --      1.0337                 0.7857                 0.7869
 IR Inten    --      8.9548                13.3059                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.03  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.06   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02  -0.02  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.06   0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.06   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.08   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.02
     7   1     0.04  -0.22   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
     8   1    -0.08   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.02
     9   6     0.06   0.03  -0.00    -0.00  -0.00  -0.06     0.00   0.00  -0.06
    10   6    -0.05  -0.07   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.10   0.35   0.00     0.00  -0.00   0.33    -0.00   0.00   0.33
    12   1    -0.01   0.35   0.00     0.00  -0.00   0.58    -0.00   0.00   0.58
    13   1     0.36  -0.20  -0.00    -0.00   0.00  -0.24     0.00  -0.00  -0.24
    14   6     0.06   0.03  -0.00    -0.00  -0.00  -0.06     0.00   0.00   0.06
    15   1    -0.01   0.35   0.00     0.00  -0.00   0.58    -0.00   0.00  -0.58
    16   6    -0.05  -0.07   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.10   0.35   0.00     0.00  -0.00   0.33    -0.00   0.00  -0.33
    18   1     0.36  -0.20  -0.00    -0.00   0.00  -0.24     0.00  -0.00   0.24
    19   6    -0.02  -0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.04  -0.22  -0.00    -0.00   0.00   0.01     0.00  -0.00  -0.03
                     28                     29                     30
                     AG                     BU                     AG
 Frequencies --   1109.9487              1204.9400              1262.9307
 Red. masses --      1.5056                 1.3530                 1.2423
 Frc consts  --      1.0928                 1.1574                 1.1674
 IR Inten    --      0.0000                 1.4942                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.00     0.03  -0.05  -0.00     0.01   0.07  -0.00
     2   6     0.05  -0.02  -0.00    -0.02   0.08   0.00    -0.03  -0.01   0.00
     3   6     0.03   0.03   0.00    -0.03  -0.05  -0.00    -0.04   0.03  -0.00
     4   6     0.02   0.06  -0.00     0.03  -0.05   0.00    -0.01  -0.07   0.00
     5   6    -0.05   0.02  -0.00    -0.02   0.08   0.00     0.03   0.01   0.00
     6   1     0.10   0.03  -0.00     0.30   0.47   0.00    -0.31  -0.32   0.00
     7   1     0.02   0.07   0.00     0.07  -0.39  -0.00    -0.20   0.48  -0.00
     8   1    -0.10  -0.03   0.00     0.30   0.47  -0.00     0.31   0.32  -0.00
     9   6     0.05   0.03  -0.00    -0.01  -0.01   0.00     0.03   0.02   0.00
    10   6    -0.04  -0.09   0.00     0.00   0.03  -0.00    -0.01   0.00  -0.00
    11   1    -0.10   0.35  -0.00     0.01  -0.04   0.00    -0.02   0.06   0.00
    12   1    -0.01   0.33   0.00    -0.00  -0.03  -0.00     0.01   0.13  -0.00
    13   1     0.40  -0.24  -0.00    -0.12   0.07  -0.00    -0.01   0.00  -0.00
    14   6    -0.05  -0.03   0.00    -0.01  -0.01  -0.00    -0.03  -0.02   0.00
    15   1     0.01  -0.33  -0.00    -0.00  -0.03   0.00    -0.01  -0.13   0.00
    16   6     0.04   0.09  -0.00     0.00   0.03  -0.00     0.01  -0.00  -0.00
    17   1     0.10  -0.35  -0.00     0.01  -0.04   0.00     0.02  -0.06   0.00
    18   1    -0.40   0.24   0.00    -0.12   0.07  -0.00     0.01  -0.00  -0.00
    19   6    -0.03  -0.03   0.00    -0.03  -0.05  -0.00     0.04  -0.03  -0.00
    20   1    -0.02  -0.07  -0.00     0.07  -0.39   0.00     0.20  -0.48   0.00
                     31                     32                     33
                     BU                     AG                     BU
 Frequencies --   1284.8921              1296.1971              1351.4086
 Red. masses --      2.3326                 2.8288                 5.2228
 Frc consts  --      2.2689                 2.8002                 5.6199
 IR Inten    --      0.0824                 0.0000                 9.4700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.20  -0.00     0.00   0.21  -0.00     0.28   0.08  -0.00
     2   6     0.09   0.03   0.00     0.01   0.12   0.00    -0.11  -0.15   0.00
     3   6    -0.00  -0.07  -0.00    -0.07  -0.09  -0.00    -0.12   0.19  -0.00
     4   6    -0.06   0.20   0.00    -0.00  -0.21   0.00     0.28   0.08   0.00
     5   6     0.09   0.03  -0.00    -0.01  -0.12  -0.00    -0.11  -0.15   0.00
     6   1    -0.10  -0.19   0.00     0.22   0.40   0.00    -0.10  -0.13   0.00
     7   1     0.15  -0.50  -0.00    -0.05  -0.19  -0.00     0.08  -0.38  -0.00
     8   1    -0.10  -0.19  -0.00    -0.22  -0.40  -0.00    -0.10  -0.13  -0.00
     9   6    -0.04  -0.02  -0.00     0.08   0.05   0.00    -0.11  -0.07  -0.00
    10   6     0.01  -0.03   0.00    -0.03   0.03  -0.00     0.06   0.03   0.00
    11   1     0.01  -0.07  -0.00    -0.05   0.15   0.00     0.11  -0.28   0.00
    12   1     0.01  -0.32  -0.00     0.02   0.38   0.00    -0.11  -0.10   0.00
    13   1     0.09  -0.06   0.00    -0.01   0.03  -0.00    -0.11   0.08  -0.00
    14   6    -0.04  -0.02   0.00    -0.08  -0.05  -0.00    -0.11  -0.07  -0.00
    15   1     0.01  -0.32   0.00    -0.02  -0.38   0.00    -0.11  -0.10   0.00
    16   6     0.01  -0.03  -0.00     0.03  -0.03  -0.00     0.06   0.03   0.00
    17   1     0.01  -0.07   0.00     0.05  -0.15   0.00     0.11  -0.28   0.00
    18   1     0.09  -0.06  -0.00     0.01  -0.03   0.00    -0.11   0.08  -0.00
    19   6    -0.00  -0.07   0.00     0.07   0.09   0.00    -0.12   0.19  -0.00
    20   1     0.15  -0.50  -0.00     0.05   0.19  -0.00     0.08  -0.38   0.00
                     34                     35                     36
                     AG                     BU                     AG
 Frequencies --   1398.7635              1420.6926              1426.7905
 Red. masses --      1.4216                 1.3384                 1.2532
 Frc consts  --      1.6388                 1.5916                 1.5031
 IR Inten    --      0.0000                 8.2400                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.00    -0.02   0.01  -0.00     0.05  -0.00   0.00
     2   6    -0.01  -0.04  -0.00     0.02   0.03   0.00     0.02   0.02  -0.00
     3   6     0.01  -0.01   0.00    -0.00  -0.03  -0.00    -0.01   0.02   0.00
     4   6     0.09   0.01  -0.00    -0.02   0.01   0.00    -0.05   0.00  -0.00
     5   6     0.01   0.04  -0.00     0.02   0.03  -0.00    -0.02  -0.02   0.00
     6   1     0.27   0.29   0.00    -0.03  -0.03   0.00    -0.18  -0.21  -0.00
     7   1    -0.13   0.39  -0.00    -0.02   0.01  -0.00     0.09  -0.27   0.00
     8   1    -0.27  -0.29   0.00    -0.03  -0.03  -0.00     0.18   0.21   0.00
     9   6    -0.07  -0.03  -0.00    -0.07  -0.01   0.00    -0.05   0.00   0.00
    10   6     0.06   0.01   0.00     0.08  -0.01  -0.00     0.07  -0.02  -0.00
    11   1     0.09  -0.22  -0.00     0.13  -0.31   0.00     0.11  -0.23   0.00
    12   1    -0.14   0.28  -0.00    -0.20   0.57   0.00    -0.16   0.49  -0.00
    13   1    -0.02   0.03   0.00     0.05  -0.01  -0.00     0.04  -0.02  -0.00
    14   6     0.07   0.03  -0.00    -0.07  -0.01  -0.00     0.05  -0.00   0.00
    15   1     0.14  -0.28   0.00    -0.20   0.57   0.00     0.16  -0.49  -0.00
    16   6    -0.06  -0.01  -0.00     0.08  -0.01   0.00    -0.07   0.02  -0.00
    17   1    -0.09   0.22   0.00     0.13  -0.31   0.00    -0.11   0.23  -0.00
    18   1     0.02  -0.03  -0.00     0.05  -0.01  -0.00    -0.04   0.02   0.00
    19   6    -0.01   0.01   0.00    -0.00  -0.03   0.00     0.01  -0.02   0.00
    20   1     0.13  -0.39  -0.00    -0.02   0.01   0.00    -0.09   0.27  -0.00
                     37                     38                     39
                     BU                     AG                     BU
 Frequencies --   1515.0584              1565.6748              1575.3215
 Red. masses --      2.5521                 1.3010                 1.2967
 Frc consts  --      3.4515                 1.8790                 1.8960
 IR Inten    --     18.8008                 0.0000                 0.5560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.01   0.00     0.02   0.03   0.00     0.04  -0.02  -0.00
     2   6     0.02   0.16  -0.00    -0.02   0.00  -0.00    -0.02   0.03   0.00
     3   6    -0.07  -0.12   0.00     0.01  -0.03   0.00    -0.00  -0.04  -0.00
     4   6     0.13  -0.01  -0.00    -0.02  -0.03   0.00     0.04  -0.02   0.00
     5   6     0.02   0.16   0.00     0.02  -0.00  -0.00    -0.02   0.03  -0.00
     6   1    -0.40  -0.30  -0.00     0.00   0.03   0.00    -0.02   0.04   0.00
     7   1    -0.22   0.23   0.00    -0.01   0.05   0.00    -0.07   0.13  -0.00
     8   1    -0.40  -0.30   0.00    -0.00  -0.03   0.00    -0.02   0.04  -0.00
     9   6    -0.00  -0.07  -0.00    -0.03   0.10  -0.00    -0.03   0.08   0.00
    10   6    -0.01   0.03   0.00    -0.02  -0.00  -0.00    -0.03   0.01  -0.00
    11   1    -0.03   0.14  -0.00     0.05  -0.41  -0.00     0.04  -0.41   0.00
    12   1    -0.00  -0.05  -0.00     0.03  -0.21  -0.00     0.03  -0.25   0.00
    13   1    -0.21   0.11   0.00     0.48  -0.18   0.00     0.45  -0.16  -0.00
    14   6    -0.00  -0.07   0.00     0.03  -0.10  -0.00    -0.03   0.08  -0.00
    15   1    -0.00  -0.05  -0.00    -0.03   0.21  -0.00     0.03  -0.25   0.00
    16   6    -0.01   0.03   0.00     0.02   0.00  -0.00    -0.03   0.01  -0.00
    17   1    -0.03   0.14  -0.00    -0.05   0.41   0.00     0.04  -0.41   0.00
    18   1    -0.21   0.11   0.00    -0.48   0.18   0.00     0.45  -0.16  -0.00
    19   6    -0.07  -0.12   0.00    -0.01   0.03  -0.00    -0.00  -0.04   0.00
    20   1    -0.22   0.23  -0.00     0.01  -0.05   0.00    -0.07   0.13   0.00
                     40                     41                     42
                     BU                     AG                     AG
 Frequencies --   1641.3151              1691.3872              1740.0942
 Red. masses --      2.4971                 5.1086                 5.6180
 Frc consts  --      3.9634                 8.6108                10.0225
 IR Inten    --     15.0494                 0.0000                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.16  -0.00     0.30  -0.04  -0.00     0.02   0.19   0.00
     2   6    -0.12  -0.06   0.00    -0.20  -0.05   0.00    -0.12  -0.26  -0.00
     3   6     0.08  -0.12  -0.00     0.16  -0.13  -0.00    -0.03   0.29   0.00
     4   6     0.05   0.16   0.00    -0.30   0.04   0.00    -0.02  -0.19  -0.00
     5   6    -0.12  -0.06  -0.00     0.20   0.05  -0.00     0.12   0.26   0.00
     6   1     0.23   0.37   0.00     0.08   0.32   0.00     0.30   0.21  -0.00
     7   1    -0.11   0.45  -0.00     0.04   0.30  -0.00     0.20  -0.32   0.00
     8   1     0.23   0.37  -0.00    -0.08  -0.32  -0.00    -0.30  -0.21   0.00
     9   6    -0.02  -0.03   0.00     0.01   0.03   0.00    -0.01   0.06  -0.00
    10   6     0.02  -0.02  -0.00     0.04  -0.06  -0.00     0.02  -0.03   0.00
    11   1     0.01   0.09   0.00     0.00   0.23   0.00     0.01   0.07  -0.00
    12   1    -0.03  -0.03   0.00    -0.02   0.17  -0.00     0.01  -0.06   0.00
    13   1    -0.13   0.03  -0.00    -0.18   0.01   0.00    -0.04  -0.01  -0.00
    14   6    -0.02  -0.03  -0.00    -0.01  -0.03  -0.00     0.01  -0.06  -0.00
    15   1    -0.03  -0.03   0.00     0.02  -0.17   0.00    -0.01   0.06  -0.00
    16   6     0.02  -0.02   0.00    -0.04   0.06   0.00    -0.02   0.03   0.00
    17   1     0.01   0.09   0.00    -0.00  -0.23   0.00    -0.01  -0.07  -0.00
    18   1    -0.13   0.03  -0.00     0.18  -0.01  -0.00     0.04   0.01  -0.00
    19   6     0.08  -0.12   0.00    -0.16   0.13   0.00     0.03  -0.29   0.00
    20   1    -0.11   0.45   0.00    -0.04  -0.30   0.00    -0.20   0.32  -0.00
                     43                     44                     45
                     AG                     BU                     BU
 Frequencies --   1814.4584              1815.3382              3396.4292
 Red. masses --      3.9778                 3.9411                 1.0630
 Frc consts  --      7.7160                 7.6522                 7.2247
 IR Inten    --      0.0000                 1.4866                98.3271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.02   0.00     0.03  -0.05   0.00    -0.00  -0.00   0.00
     2   6     0.05   0.04  -0.00     0.00   0.02  -0.00     0.00  -0.00  -0.00
     3   6    -0.02  -0.04   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     4   6     0.06  -0.02  -0.00     0.03  -0.05  -0.00    -0.00  -0.00  -0.00
     5   6    -0.05  -0.04   0.00     0.00   0.02   0.00     0.00  -0.00  -0.00
     6   1    -0.02  -0.03  -0.00    -0.06  -0.04  -0.00    -0.01   0.01  -0.00
     7   1    -0.04   0.01   0.00    -0.02   0.01   0.00     0.01   0.00   0.00
     8   1     0.02   0.03   0.00    -0.06  -0.04   0.00    -0.01   0.01   0.00
     9   6    -0.14   0.22  -0.00    -0.14   0.23  -0.00    -0.01  -0.01  -0.00
    10   6     0.15  -0.19  -0.00     0.15  -0.19   0.00    -0.03   0.04   0.00
    11   1     0.11   0.38  -0.00     0.11   0.39  -0.00     0.47   0.07   0.00
    12   1    -0.07  -0.28  -0.00    -0.07  -0.27  -0.00     0.17   0.03   0.00
    13   1    -0.34  -0.06   0.00    -0.34  -0.07   0.00    -0.16  -0.46  -0.00
    14   6     0.14  -0.22   0.00    -0.14   0.23   0.00    -0.01  -0.01   0.00
    15   1     0.07   0.28  -0.00    -0.07  -0.27  -0.00     0.17   0.03  -0.00
    16   6    -0.15   0.19  -0.00     0.15  -0.19  -0.00    -0.03   0.04  -0.00
    17   1    -0.11  -0.38  -0.00     0.11   0.39  -0.00     0.47   0.07  -0.00
    18   1     0.34   0.06   0.00    -0.34  -0.07   0.00    -0.16  -0.46   0.00
    19   6     0.02   0.04   0.00    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    20   1     0.04  -0.01  -0.00    -0.02   0.01  -0.00     0.01   0.00  -0.00
                     46                     47                     48
                     AG                     BU                     AG
 Frequencies --   3397.1474              3437.7395              3437.7857
 Red. masses --      1.0629                 1.0978                 1.0978
 Frc consts  --      7.2274                 7.6439                 7.6443
 IR Inten    --      0.0000                 4.3943                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     7   1     0.00   0.00   0.00     0.03   0.01   0.00     0.03   0.01   0.00
     8   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.01  -0.01   0.00
     9   6    -0.01  -0.01  -0.00    -0.06  -0.01  -0.00    -0.06  -0.01   0.00
    10   6    -0.03   0.04   0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    11   1     0.48   0.07   0.00    -0.15  -0.02  -0.00    -0.14  -0.02  -0.00
    12   1     0.17   0.03   0.00     0.67   0.14  -0.00     0.67   0.14  -0.00
    13   1    -0.16  -0.46  -0.00     0.03   0.09  -0.00     0.03   0.09   0.00
    14   6     0.01   0.01  -0.00    -0.06  -0.01  -0.00     0.06   0.01   0.00
    15   1    -0.17  -0.03  -0.00     0.67   0.14  -0.00    -0.67  -0.14  -0.00
    16   6     0.03  -0.04   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    17   1    -0.48  -0.07  -0.00    -0.15  -0.02  -0.00     0.14   0.02  -0.00
    18   1     0.16   0.46  -0.00     0.03   0.09   0.00    -0.03  -0.09   0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.03   0.01   0.00    -0.03  -0.01   0.00
                     49                     50                     51
                     BU                     AG                     BU
 Frequencies --   3447.2135              3450.7344              3467.0890
 Red. masses --      1.0917                 1.0916                 1.0986
 Frc consts  --      7.6433                 7.6581                 7.7807
 IR Inten    --      0.7808                 0.0000                 5.9042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.02  -0.02  -0.00     0.02  -0.02  -0.00    -0.04   0.04  -0.00
     3   6    -0.05  -0.02   0.00    -0.05  -0.02   0.00    -0.03  -0.01  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.04   0.04  -0.00
     6   1    -0.26   0.22  -0.00    -0.26   0.22   0.00     0.47  -0.40   0.00
     7   1     0.58   0.20  -0.00     0.58   0.20  -0.00     0.32   0.11  -0.00
     8   1    -0.26   0.22  -0.00     0.26  -0.22  -0.00     0.47  -0.40  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.03  -0.01  -0.00    -0.03  -0.01  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.03  -0.01   0.00     0.03   0.01   0.00    -0.00  -0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01   0.00
    19   6    -0.05  -0.02  -0.00     0.05   0.02  -0.00    -0.03  -0.01   0.00
    20   1     0.58   0.20  -0.00    -0.58  -0.20  -0.00     0.32   0.11   0.00
                     52                     53                     54
                     AG                     BU                     AG
 Frequencies --   3470.0274              3548.3199              3548.3320
 Red. masses --      1.0995                 1.1182                 1.1182
 Frc consts  --      7.8004                 8.2953                 8.2953
 IR Inten    --      0.0000                 0.0040                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.03  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.04  -0.04  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   1     0.47  -0.40   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     7   1     0.32   0.11  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.47   0.40  -0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.05  -0.05   0.00    -0.05  -0.05  -0.00
    11   1    -0.00  -0.00  -0.00     0.49   0.07  -0.00     0.49   0.07   0.00
    12   1    -0.01  -0.00  -0.00     0.04   0.01  -0.00     0.04   0.01   0.00
    13   1     0.00   0.01   0.00     0.16   0.47   0.00     0.16   0.47   0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00     0.04   0.01  -0.00    -0.04  -0.01  -0.00
    16   6     0.00   0.00   0.00    -0.05  -0.05   0.00     0.05   0.05   0.00
    17   1     0.00   0.00  -0.00     0.49   0.07  -0.00    -0.49  -0.07  -0.00
    18   1    -0.00  -0.01   0.00     0.16   0.47   0.00    -0.16  -0.47  -0.00
    19   6     0.03   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.32  -0.11   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - 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  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   130.07825 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   390.076312635.018523025.09483
           X            0.02413   0.99971   0.00000
           Y            0.99971  -0.02413   0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  2.
 Rotational temperatures (Kelvin)      0.22204     0.03287     0.02863
 Rotational constants (GHZ):           4.62664     0.68491     0.59659
 Zero-point vibrational energy     465059.8 (Joules/Mol)
                                  111.15195 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     76.54   121.92   214.95   258.03   378.94
          (Kelvin)            429.35   586.41   610.25   672.99   700.26
                              832.37   944.31   969.17  1016.32  1057.72
                             1165.70  1241.23  1288.10  1291.00  1410.57
                             1410.73  1467.00  1493.64  1544.48  1584.83
                             1591.29  1591.52  1596.97  1733.64  1817.08
                             1848.67  1864.94  1944.38  2012.51  2044.06
                             2052.83  2179.83  2252.66  2266.54  2361.49
                             2433.53  2503.61  2610.60  2611.87  4886.70
                             4887.74  4946.14  4946.21  4959.77  4964.84
                             4988.37  4992.60  5105.24  5105.26
 
 Zero-point correction=                           0.177132 (Hartree/Particle)
 Thermal correction to Energy=                    0.186016
 Thermal correction to Enthalpy=                  0.186960
 Thermal correction to Gibbs Free Energy=         0.143352
 Sum of electronic and zero-point Energies=           -382.131135
 Sum of electronic and thermal Energies=              -382.122251
 Sum of electronic and thermal Enthalpies=            -382.121307
 Sum of electronic and thermal Free Energies=         -382.164915
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.727             33.556             91.781
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.143
 Vibrational            114.949             27.594             23.136
 Vibration     1          0.596              1.976              4.695
 Vibration     2          0.601              1.960              3.778
 Vibration     3          0.618              1.903              2.680
 Vibration     4          0.629              1.868              2.335
 Vibration     5          0.670              1.740              1.639
 Vibration     6          0.691              1.677              1.426
 Vibration     7          0.772              1.454              0.935
 Vibration     8          0.786              1.418              0.878
 Vibration     9          0.825              1.322              0.744
 Vibration    10          0.843              1.280              0.692
 Vibration    11          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.115591D-65        -65.937075       -151.825725
 Total V=0       0.345046D+16         15.537877         35.777283
 Vib (Bot)       0.628077D-79        -79.201987       -182.369315
 Vib (Bot)    1  0.388466D+01          0.589353          1.357036
 Vib (Bot)    2  0.242842D+01          0.385323          0.887240
 Vib (Bot)    3  0.135745D+01          0.132724          0.305608
 Vib (Bot)    4  0.112020D+01          0.049294          0.113503
 Vib (Bot)    5  0.736246D+00         -0.132977         -0.306191
 Vib (Bot)    6  0.637862D+00         -0.195273         -0.449633
 Vib (Bot)    7  0.434869D+00         -0.361641         -0.832710
 Vib (Bot)    8  0.412668D+00         -0.384399         -0.885112
 Vib (Bot)    9  0.361285D+00         -0.442150         -1.018088
 Vib (Bot)   10  0.341650D+00         -0.466418         -1.073968
 Vib (Bot)   11  0.263786D+00         -0.578749         -1.332618
 Vib (V=0)       0.187484D+03          2.272964          5.233693
 Vib (V=0)    1  0.441671D+01          0.645099          1.485395
 Vib (V=0)    2  0.297936D+01          0.474123          1.091707
 Vib (V=0)    3  0.194661D+01          0.289278          0.666088
 Vib (V=0)    4  0.172672D+01          0.237222          0.546223
 Vib (V=0)    5  0.138998D+01          0.143007          0.329287
 Vib (V=0)    6  0.131047D+01          0.117428          0.270389
 Vib (V=0)    7  0.116265D+01          0.065451          0.150706
 Vib (V=0)    8  0.114830D+01          0.060056          0.138284
 Vib (V=0)    9  0.111687D+01          0.048002          0.110529
 Vib (V=0)   10  0.110558D+01          0.043589          0.100368
 Vib (V=0)   11  0.106532D+01          0.027479          0.063272
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583124D+08          7.765761         17.881325
 Rotational      0.315611D+06          5.499152         12.662265
 
                                                         Title Card Required
                                                             IR Spectrum
 
   333333333                                                       11 1 1 111 1 111 111111111111                                     
   544444433                                                       88 7 6 655 5 443 32222111100099 88 8 8 7766  5  4444   22  11     
   476543399                                                       11 4 9 476 1 229 59860100073288 99 6 1 3075  7  8620   96  74 8 5 
   807178876                                                       54 0 1 156 5 719 16535066238010 75 3 0 5646  9  7848   83  99 5 3 
 
     X X X X                                                       X      XX  X  X  X X X  XXX  X  X      XX       XXX        XX     
           X                                                              X   X  X  X      XX   X  X                                 
           X                                                              X   X            X    X  X                                 
           X                                                                  X                 X  X                                 
           X                                                                                    X  X                                 
           X                                                                                    X                                    
           X                                                                                    X                                    
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
           X                                                                                                                         
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           X                                                                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020974   -0.000000000   -0.000043825
      2        6          -0.000033728   -0.000000000    0.000010941
      3        6           0.000019961    0.000000000   -0.000002123
      4        6           0.000020974    0.000000000    0.000043825
      5        6           0.000033728    0.000000000   -0.000010941
      6        1           0.000002487    0.000000000   -0.000002588
      7        1          -0.000004505   -0.000000000    0.000003355
      8        1          -0.000002487   -0.000000000    0.000002588
      9        6          -0.000035580   -0.000000000   -0.000045163
     10        6           0.000012577    0.000000000   -0.000006263
     11        1           0.000008835    0.000000000    0.000008137
     12        1          -0.000000709   -0.000000000    0.000006100
     13        1          -0.000003109   -0.000000000    0.000001868
     14        6           0.000035580    0.000000000    0.000045163
     15        1           0.000000709    0.000000000   -0.000006100
     16        6          -0.000012577   -0.000000000    0.000006263
     17        1          -0.000008835   -0.000000000   -0.000008137
     18        1           0.000003109    0.000000000   -0.000001868
     19        6          -0.000019961   -0.000000000    0.000002123
     20        1           0.000004505    0.000000000   -0.000003355
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045163 RMS     0.000016087
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Leave Link  716 at Wed Apr  4 10:22:29 2018, MaxMem=   117964800 cpu:               0.1 elap:               0.1
 (Enter /software/Gaussian16/g16_sse4/g16/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Red2BG is reusing G-inverse.
 Internal  Forces:  Max     0.000035657 RMS     0.000010229
 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 ---    0.00243   0.00250   0.01721   0.01858   0.02016
     Eigenvalues ---    0.02350   0.02455   0.02547   0.02577   0.02612
     Eigenvalues ---    0.02824   0.02853   0.02888   0.03556   0.03569
     Eigenvalues ---    0.04388   0.04390   0.12298   0.12323   0.12765
     Eigenvalues ---    0.12802   0.13008   0.13288   0.13561   0.14535
     Eigenvalues ---    0.15510   0.15529   0.18756   0.19674   0.20864
     Eigenvalues ---    0.21404   0.21707   0.22602   0.23818   0.30440
     Eigenvalues ---    0.36016   0.37601   0.41544   0.41569   0.41905
     Eigenvalues ---    0.41913   0.41921   0.41966   0.42251   0.42366
     Eigenvalues ---    0.43116   0.43179   0.46374   0.46580   0.50484
     Eigenvalues ---    0.50603   0.55792   0.70239   0.70281
 Angle between quadratic step and forces=  23.68 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00014562 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000000
 ITry= 1 IFail=0 DXMaxC= 7.23D-04 DCOld= 1.00D+10 DXMaxT= 3.00D-01 DXLimC= 3.00D+00 Rises=F
 ClnCor:  largest displacement from symmetrization is 8.64D-12 for atom    18.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68563   0.00001   0.00000   0.00003   0.00003   2.68566
    R2        2.83009  -0.00003   0.00000  -0.00012  -0.00012   2.82996
    R3        2.68803   0.00001   0.00000   0.00001   0.00001   2.68804
    R4        2.64968   0.00002   0.00000   0.00004   0.00004   2.64972
    R5        2.07416  -0.00000   0.00000  -0.00001  -0.00001   2.07415
    R6        2.68803   0.00001   0.00000   0.00001   0.00001   2.68804
    R7        2.07613   0.00000   0.00000   0.00001   0.00001   2.07614
    R8        2.68563   0.00001   0.00000   0.00003   0.00003   2.68566
    R9        2.83009  -0.00003   0.00000  -0.00012  -0.00012   2.82996
   R10        2.07416  -0.00000   0.00000  -0.00001  -0.00001   2.07415
   R11        2.64968   0.00002   0.00000   0.00004   0.00004   2.64972
   R12        2.54031   0.00002   0.00000   0.00002   0.00002   2.54033
   R13        2.07951   0.00001   0.00000   0.00002   0.00002   2.07953
   R14        2.07116  -0.00001   0.00000  -0.00001  -0.00001   2.07114
   R15        2.07157  -0.00000   0.00000  -0.00000  -0.00000   2.07157
   R16        2.07951   0.00001   0.00000   0.00002   0.00002   2.07953
   R17        2.54031   0.00002   0.00000   0.00002   0.00002   2.54033
   R18        2.07116  -0.00001   0.00000  -0.00001  -0.00001   2.07114
   R19        2.07157  -0.00000   0.00000  -0.00000  -0.00000   2.07157
   R20        2.07613   0.00000   0.00000   0.00001   0.00001   2.07614
    A1        2.14748  -0.00000   0.00000  -0.00004  -0.00004   2.14744
    A2        2.05576   0.00000   0.00000   0.00001   0.00001   2.05576
    A3        2.07995   0.00000   0.00000   0.00003   0.00003   2.07998
    A4        2.10935  -0.00001   0.00000  -0.00003  -0.00003   2.10931
    A5        2.09027   0.00000   0.00000   0.00000   0.00000   2.09027
    A6        2.08357   0.00001   0.00000   0.00003   0.00003   2.08360
    A7        2.11808   0.00001   0.00000   0.00003   0.00003   2.11811
    A8        2.08772  -0.00001   0.00000  -0.00004  -0.00004   2.08768
    A9        2.07738   0.00000   0.00000   0.00001   0.00001   2.07740
   A10        2.05576   0.00000   0.00000   0.00001   0.00001   2.05576
   A11        2.07995   0.00000   0.00000   0.00003   0.00003   2.07998
   A12        2.14748  -0.00000   0.00000  -0.00004  -0.00004   2.14744
   A13        2.09027   0.00000   0.00000   0.00000   0.00000   2.09027
   A14        2.10935  -0.00001   0.00000  -0.00003  -0.00003   2.10931
   A15        2.08357   0.00001   0.00000   0.00003   0.00003   2.08360
   A16        2.20956   0.00004   0.00000   0.00019   0.00019   2.20975
   A17        1.99733  -0.00002   0.00000  -0.00006  -0.00006   1.99727
   A18        2.07629  -0.00002   0.00000  -0.00013  -0.00013   2.07617
   A19        2.14068   0.00002   0.00000   0.00013   0.00013   2.14081
   A20        2.11574  -0.00001   0.00000  -0.00010  -0.00010   2.11564
   A21        2.02676  -0.00000   0.00000  -0.00003  -0.00003   2.02674
   A22        1.99733  -0.00002   0.00000  -0.00006  -0.00006   1.99727
   A23        2.20956   0.00004   0.00000   0.00019   0.00019   2.20975
   A24        2.07629  -0.00002   0.00000  -0.00013  -0.00013   2.07617
   A25        2.14068   0.00002   0.00000   0.00013   0.00013   2.14081
   A26        2.11574  -0.00001   0.00000  -0.00010  -0.00010   2.11564
   A27        2.02676  -0.00000   0.00000  -0.00003  -0.00003   2.02674
   A28        2.11808   0.00001   0.00000   0.00003   0.00003   2.11811
   A29        2.07738   0.00000   0.00000   0.00001   0.00001   2.07740
   A30        2.08772  -0.00001   0.00000  -0.00004  -0.00004   2.08768
    D1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    D2       -0.00000   0.00000   0.00000  -0.00000   0.00000   0.00000
    D3        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
    D4        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
    D5        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
    D6        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
    D7       -0.00000   0.00000   0.00000  -0.00000   0.00000   0.00000
    D8        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
    D9       -0.00000   0.00000   0.00000  -0.00000   0.00000   0.00000
   D10        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
   D11        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
   D12        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
   D13        0.00000  -0.00000   0.00000  -0.00000   0.00000   0.00000
   D14        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D15        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D16        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
   D17       -0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   D18        3.14159   0.00000   0.00000  -0.00000   0.00000   3.14159
   D19        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
   D20        0.00000  -0.00000   0.00000  -0.00000   0.00000   0.00000
   D21        3.14159   0.00000   0.00000  -0.00000   0.00000   3.14159
   D22        0.00000  -0.00000   0.00000  -0.00000   0.00000   0.00000
   D23       -0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   D24        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D25        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D26       -0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   D27        0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   D28        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D29        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
   D30        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D31        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D32       -0.00000   0.00000   0.00000  -0.00000   0.00000   0.00000
   D33       -0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
   D34        3.14159  -0.00000   0.00000   0.00000   0.00000   3.14159
   D35        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
   D36        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
   D37       -0.00000   0.00000   0.00000  -0.00000   0.00000   0.00000
   D38        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
   D39        3.14159  -0.00000   0.00000   0.00000   0.00000   3.14159
   D40        0.00000  -0.00000   0.00000   0.00000   0.00000   0.00000
         Item               Value     Threshold  Converged?
 Maximum Force            0.000036     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.000723     0.001800     YES
 RMS     Displacement     0.000146     0.001200     YES
 Predicted change in Energy=-2.081921D-08
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4212         -DE/DX =    0.0                 !
 ! R2    R(1,14)                 1.4976         -DE/DX =    0.0                 !
 ! R3    R(1,19)                 1.4224         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4022         -DE/DX =    0.0                 !
 ! R5    R(2,6)                  1.0976         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4224         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.0986         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4212         -DE/DX =    0.0                 !
 ! R9    R(4,9)                  1.4976         -DE/DX =    0.0                 !
 ! R10   R(5,8)                  1.0976         -DE/DX =    0.0                 !
 ! R11   R(5,19)                 1.4022         -DE/DX =    0.0                 !
 ! R12   R(9,10)                 1.3443         -DE/DX =    0.0                 !
 ! R13   R(9,12)                 1.1004         -DE/DX =    0.0                 !
 ! R14   R(10,11)                1.096          -DE/DX =    0.0                 !
 ! R15   R(10,13)                1.0962         -DE/DX =    0.0                 !
 ! R16   R(14,15)                1.1004         -DE/DX =    0.0                 !
 ! R17   R(14,16)                1.3443         -DE/DX =    0.0                 !
 ! R18   R(16,17)                1.096          -DE/DX =    0.0                 !
 ! R19   R(16,18)                1.0962         -DE/DX =    0.0                 !
 ! R20   R(19,20)                1.0986         -DE/DX =    0.0                 !
 ! A1    A(2,1,14)             123.0414         -DE/DX =    0.0                 !
 ! A2    A(2,1,19)             117.7863         -DE/DX =    0.0                 !
 ! A3    A(14,1,19)            119.1723         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              120.8567         -DE/DX =    0.0                 !
 ! A5    A(1,2,6)              119.7635         -DE/DX =    0.0                 !
 ! A6    A(3,2,6)              119.3799         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              121.357          -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              119.6176         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              119.0253         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              117.7863         -DE/DX =    0.0                 !
 ! A11   A(3,4,9)              119.1723         -DE/DX =    0.0                 !
 ! A12   A(5,4,9)              123.0414         -DE/DX =    0.0                 !
 ! A13   A(4,5,8)              119.7635         -DE/DX =    0.0                 !
 ! A14   A(4,5,19)             120.8567         -DE/DX =    0.0                 !
 ! A15   A(8,5,19)             119.3799         -DE/DX =    0.0                 !
 ! A16   A(4,9,10)             126.5985         -DE/DX =    0.0                 !
 ! A17   A(4,9,12)             114.4387         -DE/DX =    0.0                 !
 ! A18   A(10,9,12)            118.9628         -DE/DX =    0.0                 !
 ! A19   A(9,10,11)            122.6521         -DE/DX =    0.0                 !
 ! A20   A(9,10,13)            121.2229         -DE/DX =    0.0                 !
 ! A21   A(11,10,13)           116.125          -DE/DX =    0.0                 !
 ! A22   A(1,14,15)            114.4387         -DE/DX =    0.0                 !
 ! A23   A(1,14,16)            126.5985         -DE/DX =    0.0                 !
 ! A24   A(15,14,16)           118.9628         -DE/DX =    0.0                 !
 ! A25   A(14,16,17)           122.6521         -DE/DX =    0.0                 !
 ! A26   A(14,16,18)           121.2229         -DE/DX =    0.0                 !
 ! A27   A(17,16,18)           116.125          -DE/DX =    0.0                 !
 ! A28   A(1,19,5)             121.357          -DE/DX =    0.0                 !
 ! A29   A(1,19,20)            119.0253         -DE/DX =    0.0                 !
 ! A30   A(5,19,20)            119.6176         -DE/DX =    0.0                 !
 ! D1    D(14,1,2,3)           180.0            -DE/DX =    0.0                 !
 ! D2    D(14,1,2,6)             0.0            -DE/DX =    0.0                 !
 ! D3    D(19,1,2,3)             0.0            -DE/DX =    0.0                 !
 ! D4    D(19,1,2,6)           180.0            -DE/DX =    0.0                 !
 ! D5    D(2,1,14,15)          180.0            -DE/DX =    0.0                 !
 ! D6    D(2,1,14,16)            0.0            -DE/DX =    0.0                 !
 ! D7    D(19,1,14,15)           0.0            -DE/DX =    0.0                 !
 ! D8    D(19,1,14,16)         180.0            -DE/DX =    0.0                 !
 ! D9    D(2,1,19,5)             0.0            -DE/DX =    0.0                 !
 ! D10   D(2,1,19,20)          180.0            -DE/DX =    0.0                 !
 ! D11   D(14,1,19,5)          180.0            -DE/DX =    0.0                 !
 ! D12   D(14,1,19,20)           0.0            -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              0.0            -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)            180.0            -DE/DX =    0.0                 !
 ! D15   D(6,2,3,4)            180.0            -DE/DX =    0.0                 !
 ! D16   D(6,2,3,7)              0.0            -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)              0.0            -DE/DX =    0.0                 !
 ! D18   D(2,3,4,9)            180.0            -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            180.0            -DE/DX =    0.0                 !
 ! D20   D(7,3,4,9)              0.0            -DE/DX =    0.0                 !
 ! D21   D(3,4,5,8)            180.0            -DE/DX =    0.0                 !
 ! D22   D(3,4,5,19)             0.0            -DE/DX =    0.0                 !
 ! D23   D(9,4,5,8)              0.0            -DE/DX =    0.0                 !
 ! D24   D(9,4,5,19)           180.0            -DE/DX =    0.0                 !
 ! D25   D(3,4,9,10)           180.0            -DE/DX =    0.0                 !
 ! D26   D(3,4,9,12)             0.0            -DE/DX =    0.0                 !
 ! D27   D(5,4,9,10)             0.0            -DE/DX =    0.0                 !
 ! D28   D(5,4,9,12)           180.0            -DE/DX =    0.0                 !
 ! D29   D(4,5,19,1)             0.0            -DE/DX =    0.0                 !
 ! D30   D(4,5,19,20)          180.0            -DE/DX =    0.0                 !
 ! D31   D(8,5,19,1)           180.0            -DE/DX =    0.0                 !
 ! D32   D(8,5,19,20)            0.0            -DE/DX =    0.0                 !
 ! D33   D(4,9,10,11)            0.0            -DE/DX =    0.0                 !
 ! D34   D(4,9,10,13)          180.0            -DE/DX =    0.0                 !
 ! D35   D(12,9,10,11)         180.0            -DE/DX =    0.0                 !
 ! D36   D(12,9,10,13)           0.0            -DE/DX =    0.0                 !
 ! D37   D(1,14,16,17)           0.0            -DE/DX =    0.0                 !
 ! D38   D(1,14,16,18)         180.0            -DE/DX =    0.0                 !
 ! D39   D(15,14,16,17)        180.0            -DE/DX =    0.0                 !
 ! D40   D(15,14,16,18)          0.0            -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Wed Apr  4 10:22:29 2018, MaxMem=   117964800 cpu:               0.0 elap:               0.0
 (Enter /software/Gaussian16/g16_sse4/g16/l9999.exe)
 Dipole is zero, so no output in dipole orientation.

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

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

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.741998D+02      0.109953D+02      0.122339D+02
   aniso      0.114985D+03      0.170390D+02      0.189584D+02
   xx         0.140271D+03      0.207860D+02      0.231276D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.113434D+02      0.168091D+01      0.187027D+01
   zx         0.156145D+02      0.231383D+01      0.257449D+01
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.709850D+02      0.105189D+02      0.117038D+02

 ----------------------------------------------------------------------
 1\1\GINC-QNODE4085\Freq\RB3LYP\STO-3G\C10H10\ASR731\04-Apr-2018\0\\#p 
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 THERE IS NO SCIENCE WITHOUT FANCY, NOR ART WITHOUT FACTS.
     -- VLADIMIR NABAKOV
 Job cpu time:       0 days  0 hours  1 minutes  9.8 seconds.
 Elapsed time:       0 days  0 hours  1 minutes 10.0 seconds.
 File lengths (MBytes):  RWF=     10 Int=      0 D2E=      0 Chk=     16 Scr=      1
 Normal termination of Gaussian 16 at Wed Apr  4 10:22:29 2018.