View source for Log. File4Al2Br2Cl4freq

 Entering Gaussian System, Link 0=g03
 Initial command:
 /apps/gaussian/g09_c01/g09/l1.exe /home/scan-user-1/run/73209/Gau-17740.inp -scrdir=/home/scan-user-1/run/73209/
 Entering Link 1 = /apps/gaussian/g09_c01/g09/l1.exe PID=     17741.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011,
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 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
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 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 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.
  
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 Rights clause in FAR 52.227-19.
  
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 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
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 Cite this work as:
 Gaussian 09, Revision C.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010.
 
 ******************************************
 Gaussian 09:  EM64L-G09RevC.01 23-Sep-2011
                26-Feb-2013 
 ******************************************
 %nprocshared=4
 Will use up to    4 processors via shared memory.
 %mem=7000MB
 %NoSave
 %Chk=chk.chk
 %rwf=/tmp/pbs.3920928.cx1b/rwf
 ------------------------------------------------------
 # freq b3lyp/gen geom=connectivity gfinput pseudo=read
 ------------------------------------------------------
 1/10=4,30=1,38=1,57=2/1,3;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,16=1,17=8,24=10,25=1,30=1,71=2,74=-5/1,2,3;
 4//1;
 5/5=2,38=5,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,18=1,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 ------------------------
 Al2Br2Cl4 Frequency3 GEN
 ------------------------
 Charge =  0 Multiplicity = 1
 Symbolic Z-Matrix:
 Al                   -1.50373  -0.60923   0. 
 Al                    1.50373   0.60924  0. 
 Cl                   -1.74752  -2.68879  -0.00001 
 Cl                    1.74754   2.6888    0.00001 
 Cl                    0.        0.00001  -1.62761 
 Cl                   0.         0.00001   1.62761 
 Br                   -3.29189   0.79666  0. 
 Br                    3.29188  -0.79667   0. 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         13           0       -1.503728   -0.609231    0.000001
      2         13           0        1.503731    0.609236   -0.000001
      3         17           0       -1.747520   -2.688794   -0.000011
      4         17           0        1.747541    2.688796    0.000011
      5         17           0        0.000001    0.000013   -1.627608
      6         17           0       -0.000004    0.000005    1.627608
      7         35           0       -3.291885    0.796659   -0.000004
      8         35           0        3.291875   -0.796670    0.000004
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Al   0.000000
     2  Al   3.244915   0.000000
     3  Cl   2.093804   4.631159   0.000000
     4  Cl   4.631170   2.093804   6.413574   0.000000
     5  Cl   2.298149   2.298143   3.596190   3.596192   0.000000
     6  Cl   2.298142   2.298150   3.596192   3.596190   3.255216
     7  Br   2.274650   4.799277   3.812276   5.382936   3.757693
     8  Br   4.799265   2.274650   5.382902   3.812275   3.757693
                    6          7          8
     6  Cl   0.000000
     7  Br   3.757693   0.000000
     8  Br   3.757693   6.773817   0.000000
 Stoichiometry    Al2Br2Cl4
 Framework group  C1[X(Al2Br2Cl4)]
 Deg. of freedom    18
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         13           0        1.503728    0.609231    0.000001
      2         13           0       -1.503731   -0.609236   -0.000001
      3         17           0        1.747520    2.688794   -0.000011
      4         17           0       -1.747541   -2.688796    0.000011
      5         17           0       -0.000001   -0.000013   -1.627608
      6         17           0        0.000004   -0.000005    1.627608
      7         35           0        3.291885   -0.796659   -0.000004
      8         35           0       -3.291875    0.796670    0.000004
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.6237753      0.2264068      0.1891515
 General basis read from cards:  (5D, 7F)
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1         13
                                   No pseudopotential on this center.
    2         13
                                   No pseudopotential on this center.
    3         17
                                   No pseudopotential on this center.
    4         17
                                   No pseudopotential on this center.
    5         17
                                   No pseudopotential on this center.
    6         17
                                   No pseudopotential on this center.
    7         35            7
                                      F and up 
                                                     1      213.6143969      -28.00000000    0.00000000
                                                     2       41.0585380     -134.92688520    0.00000000
                                                     2        8.7086530      -41.92719130    0.00000000
                                                     2        2.6074661       -5.93364200    0.00000000
                                      S - F
                                                     0       54.1980682        3.00000000    0.00000000
                                                     1       32.9053558       27.34306420    0.00000000
                                                     2       13.6744890      118.80288470    0.00000000
                                                     2        3.0341152       43.43548760    0.00000000
                                      P - F
                                                     0       54.2563340        5.00000000    0.00000000
                                                     1       26.0095593       25.05042520    0.00000000
                                                     2       28.2012995       92.61574630    0.00000000
                                                     2        9.4341061       95.82490160    0.00000000
                                                     2        2.5321764       26.26849830    0.00000000
                                      D - F
                                                     0       87.6328721        3.00000000    0.00000000
                                                     1       61.7373377       22.55335570    0.00000000
                                                     2       32.4385104      178.12419880    0.00000000
                                                     2        8.7537199       76.99241620    0.00000000
                                                     2        1.6633189        9.48182700    0.00000000
    8         35            7
                                      F and up 
                                                     1      213.6143969      -28.00000000    0.00000000
                                                     2       41.0585380     -134.92688520    0.00000000
                                                     2        8.7086530      -41.92719130    0.00000000
                                                     2        2.6074661       -5.93364200    0.00000000
                                      S - F
                                                     0       54.1980682        3.00000000    0.00000000
                                                     1       32.9053558       27.34306420    0.00000000
                                                     2       13.6744890      118.80288470    0.00000000
                                                     2        3.0341152       43.43548760    0.00000000
                                      P - F
                                                     0       54.2563340        5.00000000    0.00000000
                                                     1       26.0095593       25.05042520    0.00000000
                                                     2       28.2012995       92.61574630    0.00000000
                                                     2        9.4341061       95.82490160    0.00000000
                                                     2        2.5321764       26.26849830    0.00000000
                                      D - F
                                                     0       87.6328721        3.00000000    0.00000000
                                                     1       61.7373377       22.55335570    0.00000000
                                                     2       32.4385104      178.12419880    0.00000000
                                                     2        8.7537199       76.99241620    0.00000000
                                                     2        1.6633189        9.48182700    0.00000000
 ======================================================================================================
 AO basis set in the form of general basis input (Overlap normalization):
      1 0
 S   6 1.00       0.000000000000
      0.1398310000D+05  0.1942669947D-02
      0.2098750000D+04  0.1485989959D-01
      0.4777050000D+03  0.7284939800D-01
      0.1343600000D+03  0.2468299932D+00
      0.4287090000D+02  0.4872579866D+00
      0.1451890000D+02  0.3234959911D+00
 SP   6 1.00       0.000000000000
      0.2396680000D+03 -0.2926190028D-02  0.4602845582D-02
      0.5744190000D+02 -0.3740830036D-01  0.3319896813D-01
      0.1828590000D+02 -0.1144870011D+00  0.1362818692D+00
      0.6599140000D+01  0.1156350011D+00  0.3304756828D+00
      0.2490490000D+01  0.6125950058D+00  0.4491455689D+00
      0.9445450000D+00  0.3937990037D+00  0.2657037450D+00
 SP   3 1.00       0.000000000000
      0.1277900000D+01 -0.2276069245D+00 -0.1751260189D-01
      0.3975900000D+00  0.1445835873D-02  0.2445330264D+00
      0.1600950000D+00  0.1092794439D+01  0.8049340867D+00
 SP   1 1.00       0.000000000000
      0.5565770000D-01  0.1000000000D+01  0.1000000000D+01
 D   1 1.00       0.000000000000
      0.3250000000D+00  0.1000000000D+01
 ****
      2 0
 S   6 1.00       0.000000000000
      0.1398310000D+05  0.1942669947D-02
      0.2098750000D+04  0.1485989959D-01
      0.4777050000D+03  0.7284939800D-01
      0.1343600000D+03  0.2468299932D+00
      0.4287090000D+02  0.4872579866D+00
      0.1451890000D+02  0.3234959911D+00
 SP   6 1.00       0.000000000000
      0.2396680000D+03 -0.2926190028D-02  0.4602845582D-02
      0.5744190000D+02 -0.3740830036D-01  0.3319896813D-01
      0.1828590000D+02 -0.1144870011D+00  0.1362818692D+00
      0.6599140000D+01  0.1156350011D+00  0.3304756828D+00
      0.2490490000D+01  0.6125950058D+00  0.4491455689D+00
      0.9445450000D+00  0.3937990037D+00  0.2657037450D+00
 SP   3 1.00       0.000000000000
      0.1277900000D+01 -0.2276069245D+00 -0.1751260189D-01
      0.3975900000D+00  0.1445835873D-02  0.2445330264D+00
      0.1600950000D+00  0.1092794439D+01  0.8049340867D+00
 SP   1 1.00       0.000000000000
      0.5565770000D-01  0.1000000000D+01  0.1000000000D+01
 D   1 1.00       0.000000000000
      0.3250000000D+00  0.1000000000D+01
 ****
      3 0
 S   6 1.00       0.000000000000
      0.2518010000D+05  0.1832959848D-02
      0.3780350000D+04  0.1403419883D-01
      0.8604740000D+03  0.6909739426D-01
      0.2421450000D+03  0.2374519803D+00
      0.7733490000D+02  0.4830339599D+00
      0.2624700000D+02  0.3398559718D+00
 SP   6 1.00       0.000000000000
      0.4917650000D+03 -0.2297391417D-02  0.3989400879D-02
      0.1169840000D+03 -0.3071371894D-01  0.3031770668D-01
      0.3741530000D+02 -0.1125280694D+00  0.1298800286D+00
      0.1378340000D+02  0.4501632776D-01  0.3279510723D+00
      0.5452150000D+01  0.5893533634D+00  0.4535271000D+00
      0.2225880000D+01  0.4652062868D+00  0.2521540556D+00
 SP   3 1.00       0.000000000000
      0.3186490000D+01 -0.2518280280D+00 -0.1429931472D-01
      0.1144270000D+01  0.6158925141D-01  0.3235723331D+00
      0.4203770000D+00  0.1060184328D+01  0.7435077653D+00
 SP   1 1.00       0.000000000000
      0.1426570000D+00  0.1000000000D+01  0.1000000000D+01
 D   1 1.00       0.000000000000
      0.7500000000D+00  0.1000000000D+01
 ****
      4 0
 S   6 1.00       0.000000000000
      0.2518010000D+05  0.1832959848D-02
      0.3780350000D+04  0.1403419883D-01
      0.8604740000D+03  0.6909739426D-01
      0.2421450000D+03  0.2374519803D+00
      0.7733490000D+02  0.4830339599D+00
      0.2624700000D+02  0.3398559718D+00
 SP   6 1.00       0.000000000000
      0.4917650000D+03 -0.2297391417D-02  0.3989400879D-02
      0.1169840000D+03 -0.3071371894D-01  0.3031770668D-01
      0.3741530000D+02 -0.1125280694D+00  0.1298800286D+00
      0.1378340000D+02  0.4501632776D-01  0.3279510723D+00
      0.5452150000D+01  0.5893533634D+00  0.4535271000D+00
      0.2225880000D+01  0.4652062868D+00  0.2521540556D+00
 SP   3 1.00       0.000000000000
      0.3186490000D+01 -0.2518280280D+00 -0.1429931472D-01
      0.1144270000D+01  0.6158925141D-01  0.3235723331D+00
      0.4203770000D+00  0.1060184328D+01  0.7435077653D+00
 SP   1 1.00       0.000000000000
      0.1426570000D+00  0.1000000000D+01  0.1000000000D+01
 D   1 1.00       0.000000000000
      0.7500000000D+00  0.1000000000D+01
 ****
      5 0
 S   6 1.00       0.000000000000
      0.2518010000D+05  0.1832959848D-02
      0.3780350000D+04  0.1403419883D-01
      0.8604740000D+03  0.6909739426D-01
      0.2421450000D+03  0.2374519803D+00
      0.7733490000D+02  0.4830339599D+00
      0.2624700000D+02  0.3398559718D+00
 SP   6 1.00       0.000000000000
      0.4917650000D+03 -0.2297391417D-02  0.3989400879D-02
      0.1169840000D+03 -0.3071371894D-01  0.3031770668D-01
      0.3741530000D+02 -0.1125280694D+00  0.1298800286D+00
      0.1378340000D+02  0.4501632776D-01  0.3279510723D+00
      0.5452150000D+01  0.5893533634D+00  0.4535271000D+00
      0.2225880000D+01  0.4652062868D+00  0.2521540556D+00
 SP   3 1.00       0.000000000000
      0.3186490000D+01 -0.2518280280D+00 -0.1429931472D-01
      0.1144270000D+01  0.6158925141D-01  0.3235723331D+00
      0.4203770000D+00  0.1060184328D+01  0.7435077653D+00
 SP   1 1.00       0.000000000000
      0.1426570000D+00  0.1000000000D+01  0.1000000000D+01
 D   1 1.00       0.000000000000
      0.7500000000D+00  0.1000000000D+01
 ****
      6 0
 S   6 1.00       0.000000000000
      0.2518010000D+05  0.1832959848D-02
      0.3780350000D+04  0.1403419883D-01
      0.8604740000D+03  0.6909739426D-01
      0.2421450000D+03  0.2374519803D+00
      0.7733490000D+02  0.4830339599D+00
      0.2624700000D+02  0.3398559718D+00
 SP   6 1.00       0.000000000000
      0.4917650000D+03 -0.2297391417D-02  0.3989400879D-02
      0.1169840000D+03 -0.3071371894D-01  0.3031770668D-01
      0.3741530000D+02 -0.1125280694D+00  0.1298800286D+00
      0.1378340000D+02  0.4501632776D-01  0.3279510723D+00
      0.5452150000D+01  0.5893533634D+00  0.4535271000D+00
      0.2225880000D+01  0.4652062868D+00  0.2521540556D+00
 SP   3 1.00       0.000000000000
      0.3186490000D+01 -0.2518280280D+00 -0.1429931472D-01
      0.1144270000D+01  0.6158925141D-01  0.3235723331D+00
      0.4203770000D+00  0.1060184328D+01  0.7435077653D+00
 SP   1 1.00       0.000000000000
      0.1426570000D+00  0.1000000000D+01  0.1000000000D+01
 D   1 1.00       0.000000000000
      0.7500000000D+00  0.1000000000D+01
 ****
      7 0
 S   2 1.00       0.000000000000
      0.1159000000D+01 -0.3037876889D+01
      0.7107000000D+00  0.3370373488D+01
 S   1 1.00       0.000000000000
      0.1905000000D+00  0.1000000000D+01
 P   2 1.00       0.000000000000
      0.2691000000D+01 -0.1189799989D+00
      0.4446000000D+00  0.1042447090D+01
 P   1 1.00       0.000000000000
      0.1377000000D+00  0.1000000000D+01
 ****
      8 0
 S   2 1.00       0.000000000000
      0.1159000000D+01 -0.3037876889D+01
      0.7107000000D+00  0.3370373488D+01
 S   1 1.00       0.000000000000
      0.1905000000D+00  0.1000000000D+01
 P   2 1.00       0.000000000000
      0.2691000000D+01 -0.1189799989D+00
      0.4446000000D+00  0.1042447090D+01
 P   1 1.00       0.000000000000
      0.1377000000D+00  0.1000000000D+01
 ****

 There are   124 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
   124 basis functions,   336 primitive gaussians,   130 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy       823.9591066697 Hartrees.



 Warning!  Br atom    7 may be hypervalent but has no d functions.
 Warning!  Br atom    8 may be hypervalent but has no d functions.



 NAtoms=    8 NActive=    8 NUniq=    8 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=     741 NPrTT=    6757 LenC2=     702 LenP2D=    4231.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   124 RedAO= T  NBF=   124
 NBsUse=   124 1.00D-06 NBFU=   124
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 5.57D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1
 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Petite list used in FoFCou.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state of the initial guess is 1-A.
 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.
 Keep R1 ints in memory in canonical form, NReq=37523808.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -2352.41629858     A.U. after   12 cycles
             Convg  =    0.6743D-08             -V/T =  2.0097
 Range of M.O.s used for correlation:     1   124
 NBasis=   124 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    124 NOA=    54 NOB=    54 NVA=    70 NVB=    70
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=     741 NPrTT=    6757 LenC2=     702 LenP2D=    4231.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do     9 centers at a time, making    1 passes doing MaxLOS=2.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 FoFDir/FoFCou used for L=0 through L=2.
 End of G2Drv Frequency-dependent properties file   721 does not exist.
 End of G2Drv Frequency-dependent properties file   722 does not exist.
          IDoAtm=11111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Keep R1 ints in memory in canonical form, NReq=37079550.
          There are    27 degrees of freedom in the 1st order CPHF.  IDoFFX=5.
     24 vectors produced by pass  0 Test12= 1.40D-14 3.70D-09 XBig12= 9.63D+01 3.64D+00.
 AX will form    24 AO Fock derivatives at one time.
     24 vectors produced by pass  1 Test12= 1.40D-14 3.70D-09 XBig12= 9.40D+00 8.52D-01.
     24 vectors produced by pass  2 Test12= 1.40D-14 3.70D-09 XBig12= 1.79D-01 1.18D-01.
     24 vectors produced by pass  3 Test12= 1.40D-14 3.70D-09 XBig12= 5.00D-03 1.57D-02.
     24 vectors produced by pass  4 Test12= 1.40D-14 3.70D-09 XBig12= 6.50D-06 5.22D-04.
     22 vectors produced by pass  5 Test12= 1.40D-14 3.70D-09 XBig12= 1.12D-08 2.51D-05.
      7 vectors produced by pass  6 Test12= 1.40D-14 3.70D-09 XBig12= 1.03D-11 7.05D-07.
      3 vectors produced by pass  7 Test12= 1.40D-14 3.70D-09 XBig12= 1.15D-14 2.11D-08.
 Inverted reduced A of dimension   152 with in-core refinement.
 Isotropic polarizability for W=    0.000000      104.84 Bohr**3.
 End of Minotr Frequency-dependent properties file   721 does not exist.
 End of Minotr Frequency-dependent properties file   722 does not exist.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.59187-101.59184-101.53721-101.53720 -56.16348
 Alpha  occ. eigenvalues --  -56.16346  -9.52759  -9.52753  -9.47098  -9.47096
 Alpha  occ. eigenvalues --   -7.28556  -7.28555  -7.28468  -7.28468  -7.28125
 Alpha  occ. eigenvalues --   -7.28122  -7.23060  -7.23059  -7.22593  -7.22593
 Alpha  occ. eigenvalues --   -7.22572  -7.22571  -4.25132  -4.25130  -2.80531
 Alpha  occ. eigenvalues --   -2.80530  -2.80452  -2.80449  -2.80281  -2.80280
 Alpha  occ. eigenvalues --   -0.91068  -0.88779  -0.83727  -0.83553  -0.78031
 Alpha  occ. eigenvalues --   -0.77930  -0.51122  -0.50850  -0.46394  -0.43352
 Alpha  occ. eigenvalues --   -0.42997  -0.41242  -0.40892  -0.40144  -0.38859
 Alpha  occ. eigenvalues --   -0.37179  -0.35663  -0.35271  -0.34931  -0.34823
 Alpha  occ. eigenvalues --   -0.32584  -0.32053  -0.32036  -0.31845
 Alpha virt. eigenvalues --   -0.06385  -0.04771  -0.03204   0.01410   0.01965
 Alpha virt. eigenvalues --    0.02807   0.03031   0.05058   0.08428   0.11542
 Alpha virt. eigenvalues --    0.13243   0.14619   0.15181   0.16953   0.18324
 Alpha virt. eigenvalues --    0.19621   0.27900   0.32943   0.33015   0.33246
 Alpha virt. eigenvalues --    0.33675   0.35193   0.37259   0.37422   0.37829
 Alpha virt. eigenvalues --    0.41231   0.43380   0.44135   0.47426   0.47873
 Alpha virt. eigenvalues --    0.49368   0.52525   0.53269   0.53314   0.53581
 Alpha virt. eigenvalues --    0.54342   0.55201   0.55377   0.58854   0.61792
 Alpha virt. eigenvalues --    0.61945   0.63475   0.63955   0.64570   0.64677
 Alpha virt. eigenvalues --    0.67043   0.68882   0.74315   0.79829   0.80540
 Alpha virt. eigenvalues --    0.81847   0.84456   0.84683   0.84804   0.85500
 Alpha virt. eigenvalues --    0.85655   0.86735   0.89811   0.95096   0.95467
 Alpha virt. eigenvalues --    0.96893   0.97990   1.05155   1.06566   1.09196
 Alpha virt. eigenvalues --    1.14460   1.25524   1.25845  19.29784  19.41006
          Condensed to atoms (all electrons):
              1          2          3          4          5          6
     1  Al  11.291102  -0.044029   0.419842  -0.004649   0.199155   0.199158
     2  Al  -0.044029  11.291102  -0.004649   0.419842   0.199158   0.199155
     3  Cl   0.419842  -0.004649  16.823166  -0.000003  -0.018512  -0.018512
     4  Cl  -0.004649   0.419842  -0.000003  16.823165  -0.018512  -0.018512
     5  Cl   0.199155   0.199158  -0.018512  -0.018512  16.883673  -0.049980
     6  Cl   0.199158   0.199155  -0.018512  -0.018512  -0.049980  16.883673
     7  Br   0.448365  -0.001669  -0.017331   0.000001  -0.018005  -0.018005
     8  Br  -0.001669   0.448364   0.000001  -0.017331  -0.018005  -0.018005
              7          8
     1  Al   0.448365  -0.001669
     2  Al  -0.001669   0.448364
     3  Cl  -0.017331   0.000001
     4  Cl   0.000001  -0.017331
     5  Cl  -0.018005  -0.018005
     6  Cl  -0.018005  -0.018005
     7  Br   6.756399  -0.000003
     8  Br  -0.000003   6.756399
 Mulliken atomic charges:
              1
     1  Al   0.492726
     2  Al   0.492725
     3  Cl  -0.184004
     4  Cl  -0.184003
     5  Cl  -0.158971
     6  Cl  -0.158971
     7  Br  -0.149751
     8  Br  -0.149751
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  Al   0.492726
     2  Al   0.492725
     3  Cl  -0.184004
     4  Cl  -0.184003
     5  Cl  -0.158971
     6  Cl  -0.158971
     7  Br  -0.149751
     8  Br  -0.149751
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 APT atomic charges:
              1
     1  Al   1.822536
     2  Al   1.822537
     3  Cl  -0.580739
     4  Cl  -0.580739
     5  Cl  -0.722288
     6  Cl  -0.722288
     7  Br  -0.519509
     8  Br  -0.519509
 Sum of APT charges=   0.00000
 APT Atomic charges with hydrogens summed into heavy atoms:
              1
     1  Al   1.822536
     2  Al   1.822537
     3  Cl  -0.580739
     4  Cl  -0.580739
     5  Cl  -0.722288
     6  Cl  -0.722288
     7  Br  -0.519509
     8  Br  -0.519509
 Sum of APT charges=   0.00000
 Electronic spatial extent (au):  <R**2>=           2636.7860
 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=           -116.9655   YY=           -114.5759   ZZ=           -102.9037
   XY=             -0.3463   XZ=              0.0001   YZ=              0.0001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.4838   YY=             -3.0942   ZZ=              8.5780
   XY=             -0.3463   XZ=              0.0001   YZ=              0.0001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0002  YYY=              0.0004  ZZZ=              0.0000  XYY=              0.0002
  XXY=              0.0002  XXZ=              0.0000  XZZ=              0.0001  YZZ=              0.0001
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -3051.4887 YYYY=          -1434.0596 ZZZZ=           -521.5052 XXXY=           -194.1480
 XXXZ=              0.0026 YYYX=           -216.1726 YYYZ=              0.0014 ZZZX=              0.0023
 ZZZY=              0.0015 XXYY=           -743.4736 XXZZ=           -568.9413 YYZZ=           -325.7786
 XXYZ=              0.0008 YYXZ=              0.0009 ZZXY=            -54.2039
 N-N= 8.239591066697D+02 E-N=-7.231345277687D+03  KE= 2.329924227958D+03
  Exact polarizability: 124.304  -7.240 112.027   0.000   0.000  78.181
 Approx polarizability: 156.621 -19.615 158.278   0.000   0.000 111.085
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=     741 NPrTT=    6757 LenC2=     702 LenP2D=    4231.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.7980   -0.0036   -0.0005    0.0002    1.4530    2.2597
 Low frequencies ---   18.1745   49.1209   73.0074
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                     1                      2                      3
                     A                      A                      A
 Frequencies --    18.1745                49.1209                73.0074
 Red. masses --    43.7776                46.9368                52.2018
 Frc consts  --     0.0085                 0.0667                 0.1639
 IR Inten    --     0.4660                 0.0685                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  13     0.07   0.12   0.00     0.00   0.00   0.16     0.19  -0.15   0.00
     2  13     0.07   0.12   0.00     0.00   0.00   0.16    -0.19   0.15   0.00
     3  17     0.47   0.07   0.00     0.00   0.00   0.55     0.45  -0.17   0.00
     4  17     0.47   0.07   0.00     0.00   0.00   0.55    -0.45   0.17   0.00
     5  17    -0.04   0.39   0.00     0.00   0.00   0.17     0.00   0.00   0.07
     6  17    -0.04   0.39   0.00     0.00   0.00   0.17     0.00   0.00  -0.07
     7  35    -0.21  -0.24   0.00     0.00   0.00  -0.38     0.43   0.13   0.00
     8  35    -0.21  -0.24   0.00     0.00   0.00  -0.38    -0.43  -0.13   0.00
                     4                      5                      6
                     A                      A                      A
 Frequencies --   105.0977               109.3276               117.2177
 Red. masses --    39.5416                36.5448                34.7093
 Frc consts  --     0.2573                 0.2574                 0.2810
 IR Inten    --     0.0000                 0.0000                 8.6579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  13    -0.06   0.29   0.00     0.00   0.00  -0.11     0.00   0.00   0.33
     2  13     0.06  -0.29   0.00     0.00   0.00   0.11     0.00   0.00   0.33
     3  17     0.54   0.22   0.00     0.00   0.00  -0.22     0.00   0.00  -0.41
     4  17    -0.54  -0.22   0.00     0.00   0.00   0.22     0.00   0.00  -0.41
     5  17     0.00   0.00   0.04    -0.33   0.56   0.00     0.00   0.00   0.45
     6  17     0.00   0.00  -0.04     0.33  -0.56   0.00     0.00   0.00   0.45
     7  35    -0.21   0.15   0.00     0.00   0.00   0.14     0.00   0.00  -0.13
     8  35     0.21  -0.15   0.00     0.00   0.00  -0.14     0.00   0.00  -0.13
                     7                      8                      9
                     A                      A                      A
 Frequencies --   119.8104               157.0586               159.5183
 Red. masses --    37.6722                31.2763                39.4045
 Frc consts  --     0.3186                 0.4546                 0.5908
 IR Inten    --    12.7397                 0.0000                 6.3746
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  13    -0.25  -0.19   0.00     0.00   0.00   0.52     0.03  -0.18   0.00
     2  13    -0.25  -0.19   0.00     0.00   0.00  -0.52     0.03  -0.18   0.00
     3  17     0.42  -0.28   0.00     0.00   0.00  -0.27    -0.25  -0.16   0.00
     4  17     0.42  -0.28   0.00     0.00   0.00   0.27    -0.25  -0.16   0.00
     5  17    -0.32  -0.06   0.00     0.32   0.21   0.00    -0.28   0.49   0.00
     6  17    -0.32  -0.06   0.00    -0.32  -0.21   0.00    -0.28   0.49   0.00
     7  35     0.04   0.22   0.00     0.00   0.00  -0.09     0.22  -0.09   0.00
     8  35     0.04   0.22   0.00     0.00   0.00   0.09     0.22  -0.09   0.00
                    10                     11                     12
                     A                      A                      A
 Frequencies --   191.7758               263.6912               280.2187
 Red. masses --    36.5461                31.0288                37.8837
 Frc consts  --     0.7919                 1.2712                 1.7527
 IR Inten    --     0.0000                 0.0000                28.5696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  13     0.31   0.30   0.00     0.00   0.00   0.50    -0.04  -0.21   0.00
     2  13    -0.31  -0.30   0.00     0.00   0.00  -0.50    -0.04  -0.21   0.00
     3  17    -0.07   0.43   0.00     0.00   0.00   0.04    -0.07  -0.38   0.00
     4  17     0.07  -0.43   0.00     0.00   0.00  -0.04    -0.07  -0.38   0.00
     5  17     0.00   0.00   0.27    -0.46  -0.19   0.00     0.45   0.25   0.00
     6  17     0.00   0.00  -0.27     0.46   0.19   0.00     0.45   0.25   0.00
     7  35     0.13  -0.18   0.00     0.00   0.00   0.01    -0.16   0.13   0.00
     8  35    -0.13   0.18   0.00     0.00   0.00  -0.01    -0.16   0.13   0.00
                    13                     14                     15
                     A                      A                      A
 Frequencies --   307.7717               412.7341               421.2592
 Red. masses --    36.4786                29.3572                30.1825
 Frc consts  --     2.0358                 2.9465                 3.1558
 IR Inten    --     0.0000               149.1146               438.5862
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  13     0.10  -0.11   0.00     0.00   0.00   0.59     0.64   0.02   0.00
     2  13    -0.10   0.11   0.00     0.00   0.00   0.59     0.64   0.02   0.00
     3  17    -0.06  -0.24   0.00     0.00   0.00  -0.04    -0.04  -0.15   0.00
     4  17     0.06   0.24   0.00     0.00   0.00  -0.04    -0.04  -0.15   0.00
     5  17     0.00   0.00   0.63     0.00   0.00  -0.38    -0.20  -0.06   0.00
     6  17     0.00   0.00  -0.63     0.00   0.00  -0.38    -0.20  -0.06   0.00
     7  35    -0.12   0.09   0.00     0.00   0.00  -0.02    -0.11   0.09   0.00
     8  35     0.12  -0.09   0.00     0.00   0.00  -0.02    -0.11   0.09   0.00
                    16                     17                     18
                     A                      A                      A
 Frequencies --   459.2768               574.1712               578.9996
 Red. masses --    29.6269                29.3878                29.3559
 Frc consts  --     3.6820                 5.7082                 5.7983
 IR Inten    --     0.0000                 0.0000               316.1019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  13     0.66  -0.03   0.00    -0.02   0.60   0.00    -0.10   0.60   0.00
     2  13    -0.66   0.03   0.00     0.02  -0.60   0.00    -0.10   0.60   0.00
     3  17    -0.04  -0.09   0.00    -0.04  -0.36   0.00    -0.03  -0.34   0.00
     4  17     0.04   0.09   0.00     0.04   0.36   0.00    -0.03  -0.34   0.00
     5  17     0.00   0.00  -0.19     0.00   0.00  -0.03     0.00  -0.02   0.00
     6  17     0.00   0.00   0.19     0.00   0.00   0.03     0.00  -0.02   0.00
     7  35    -0.11   0.08   0.00     0.04  -0.04   0.00     0.05  -0.04   0.00
     8  35     0.11  -0.08   0.00    -0.04   0.04   0.00     0.05  -0.04   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 13 and mass  26.98154
 Atom     2 has atomic number 13 and mass  26.98154
 Atom     3 has atomic number 17 and mass  34.96885
 Atom     4 has atomic number 17 and mass  34.96885
 Atom     5 has atomic number 17 and mass  34.96885
 Atom     6 has atomic number 17 and mass  34.96885
 Atom     7 has atomic number 35 and mass  78.91834
 Atom     8 has atomic number 35 and mass  78.91834
 Molecular mass:   351.67517 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2893.255207971.233569541.24838
           X            0.99968   0.02524   0.00000
           Y           -0.02524   0.99968   0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.02994     0.01087     0.00908
 Rotational constants (GHZ):           0.62378     0.22641     0.18915
 Zero-point vibrational energy      26307.3 (Joules/Mol)
                                    6.28759 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     26.15    70.67   105.04   151.21   157.30
          (Kelvin)            168.65   172.38   225.97   229.51   275.92
                              379.39   403.17   442.81   593.83   606.10
                              660.80   826.10   833.05
 
 Zero-point correction=                           0.010020 (Hartree/Particle)
 Thermal correction to Energy=                    0.022566
 Thermal correction to Enthalpy=                  0.023510
 Thermal correction to Gibbs Free Energy=        -0.034126
 Sum of electronic and zero-point Energies=          -2352.406279
 Sum of electronic and thermal Energies=             -2352.393733
 Sum of electronic and thermal Enthalpies=           -2352.392788
 Sum of electronic and thermal Free Energies=        -2352.450425
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   14.160             36.764            121.306
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.467
 Rotational               0.889              2.981             33.753
 Vibrational             12.383             30.803             44.086
 Vibration     1          0.593              1.986              6.824
 Vibration     2          0.595              1.978              4.852
 Vibration     3          0.599              1.967              4.071
 Vibration     4          0.605              1.945              3.358
 Vibration     5          0.606              1.942              3.281
 Vibration     6          0.608              1.935              3.146
 Vibration     7          0.609              1.933              3.103
 Vibration     8          0.621              1.895              2.585
 Vibration     9          0.621              1.892              2.555
 Vibration    10          0.634              1.851              2.211
 Vibration    11          0.670              1.739              1.637
 Vibration    12          0.680              1.710              1.532
 Vibration    13          0.698              1.659              1.374
 Vibration    14          0.777              1.443              0.917
 Vibration    15          0.784              1.424              0.888
 Vibration    16          0.817              1.340              0.768
 Vibration    17          0.930              1.087              0.496
 Vibration    18          0.936              1.077              0.487
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.497554D+16         15.696841         36.143311
 Total V=0       0.202148D+21         20.305669         46.755530
 Vib (Bot)       0.361466D+01          0.558068          1.284998
 Vib (Bot)    1  0.113983D+02          1.056840          2.433464
 Vib (Bot)    2  0.420881D+01          0.624159          1.437179
 Vib (Bot)    3  0.282378D+01          0.450831          1.038078
 Vib (Bot)    4  0.195076D+01          0.290204          0.668219
 Vib (Bot)    5  0.187364D+01          0.272687          0.627885
 Vib (Bot)    6  0.174451D+01          0.241674          0.556475
 Vib (Bot)    7  0.170575D+01          0.231915          0.534004
 Vib (Bot)    8  0.128835D+01          0.110035          0.253365
 Vib (Bot)    9  0.126754D+01          0.102961          0.237076
 Vib (Bot)   10  0.104294D+01          0.018259          0.042043
 Vib (Bot)   11  0.735243D+00         -0.133569         -0.307554
 Vib (Bot)   12  0.686034D+00         -0.163654         -0.376828
 Vib (Bot)   13  0.615186D+00         -0.210994         -0.485831
 Vib (Bot)   14  0.427781D+00         -0.368779         -0.849145
 Vib (Bot)   15  0.416419D+00         -0.380469         -0.876063
 Vib (Bot)   16  0.370560D+00         -0.431141         -0.992739
 Vib (Bot)   17  0.266943D+00         -0.573582         -1.320722
 Vib (Bot)   18  0.263445D+00         -0.579309         -1.333909
 Vib (V=0)       0.146857D+06          5.166896         11.897217
 Vib (V=0)    1  0.119093D+02          1.075885          2.477316
 Vib (V=0)    2  0.473840D+01          0.675632          1.555700
 Vib (V=0)    3  0.336771D+01          0.527335          1.214233
 Vib (V=0)    4  0.251382D+01          0.400334          0.921803
 Vib (V=0)    5  0.243921D+01          0.387249          0.891674
 Vib (V=0)    6  0.231475D+01          0.364504          0.839303
 Vib (V=0)    7  0.227752D+01          0.357462          0.823087
 Vib (V=0)    8  0.188197D+01          0.274614          0.632321
 Vib (V=0)    9  0.186259D+01          0.270117          0.621968
 Vib (V=0)   10  0.165660D+01          0.219218          0.504767
 Vib (V=0)   11  0.138915D+01          0.142748          0.328690
 Vib (V=0)   12  0.134891D+01          0.129982          0.299295
 Vib (V=0)   13  0.129275D+01          0.111515          0.256772
 Vib (V=0)   14  0.115802D+01          0.063718          0.146716
 Vib (V=0)   15  0.115070D+01          0.060960          0.140367
 Vib (V=0)   16  0.112235D+01          0.050127          0.115421
 Vib (V=0)   17  0.106680D+01          0.028082          0.064660
 Vib (V=0)   18  0.106516D+01          0.027414          0.063123
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.259220D+09          8.413668         19.373186
 Rotational      0.531013D+07          6.725105         15.485127
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       13          -0.000012529   -0.000014079   -0.000000409
      2       13           0.000012354    0.000013881    0.000000409
      3       17           0.000005679    0.000007012    0.000000067
      4       17          -0.000005651   -0.000006740   -0.000000067
      5       17          -0.000000158   -0.000000086    0.000049832
      6       17           0.000000241    0.000000052   -0.000049832
      7       35           0.000002590   -0.000004713    0.000000054
      8       35          -0.000002526    0.000004672   -0.000000054
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049832 RMS     0.000015657

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00059   0.00477   0.01081   0.01693   0.01729
     Eigenvalues ---    0.01925   0.02250   0.02978   0.03865   0.05394
     Eigenvalues ---    0.08352   0.11770   0.13754   0.19218   0.23288
     Eigenvalues ---    0.26915   0.38048   0.38862
 Angle between quadratic step and forces=  46.88 degrees.
 Linear search not attempted -- first point.
 TrRot= -0.000001 -0.000001  0.000000 -0.000004  0.000000 -0.000004
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1       -2.84163  -0.00001   0.00000  -0.00036  -0.00037  -2.84200
    Y1       -1.15128  -0.00001   0.00000  -0.00021  -0.00019  -1.15147
    Z1        0.00000   0.00000   0.00000  -0.00001  -0.00001  -0.00001
    X2        2.84164   0.00001   0.00000   0.00036   0.00037   2.84201
    Y2        1.15129   0.00001   0.00000   0.00021   0.00018   1.15147
    Z2        0.00000   0.00000   0.00000   0.00001   0.00001   0.00001
    X3       -3.30233   0.00001   0.00000  -0.00037  -0.00041  -3.30274
    Y3       -5.08108   0.00001   0.00000  -0.00014  -0.00012  -5.08120
    Z3       -0.00002   0.00000   0.00000   0.00000   0.00000  -0.00002
    X4        3.30237  -0.00001   0.00000   0.00034   0.00038   3.30275
    Y4        5.08109  -0.00001   0.00000   0.00015   0.00012   5.08121
    Z4        0.00002   0.00000   0.00000   0.00000   0.00000   0.00002
    X5        0.00000   0.00000   0.00000   0.00001   0.00001   0.00001
    Y5        0.00002   0.00000   0.00000  -0.00001  -0.00001   0.00001
    Z5       -3.07573   0.00005   0.00000   0.00058   0.00058  -3.07516
    X6       -0.00001   0.00000   0.00000   0.00001   0.00001   0.00000
    Y6        0.00001   0.00000   0.00000  -0.00001  -0.00001   0.00000
    Z6        3.07573  -0.00005   0.00000  -0.00058  -0.00058   3.07516
    X7       -6.22076   0.00000   0.00000  -0.00032  -0.00030  -6.22107
    Y7        1.50547   0.00000   0.00000  -0.00020  -0.00015   1.50532
    Z7       -0.00001   0.00000   0.00000   0.00000   0.00000   0.00000
    X8        6.22074   0.00000   0.00000   0.00034   0.00033   6.22107
    Y8       -1.50549   0.00000   0.00000   0.00023   0.00018  -1.50531
    Z8        0.00001   0.00000   0.00000   0.00000   0.00000   0.00000
         Item               Value     Threshold  Converged?
 Maximum Force            0.000050     0.000450     YES
 RMS     Force            0.000016     0.000300     YES
 Maximum Displacement     0.000576     0.001800     YES
 RMS     Displacement     0.000258     0.001200     YES
 Predicted change in Energy=-3.233506D-08
 Optimization completed.
    -- Stationary point found.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

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 Luck is a matter of preparation meeting opportunity.
                                    -- Oprah Winfrey
 Job cpu time:  0 days  0 hours  4 minutes 24.3 seconds.
 File lengths (MBytes):  RWF=     27 Int=      0 D2E=      0 Chk=      2 Scr=      1
 Normal termination of Gaussian 09 at Tue Feb 26 15:40:31 2013.