$title
Benzene
$operating system unix
$path
$symmetry c1
$coord    file=coord
$intdef   file=coord
$atoms
c  1-6                                                                         \
   basis =c sto-3g
h  7-12                                                                        \
   basis =h sto-3g
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=684
   natoms=12
   nshell=24
   nbf(CAO)=36
   nbf(AO)=36
   dim(trafo[SAO<-->AO/CAO])=36
   rhfshells=1
$scfmo    file=mo12
$closed shells
 a       1-21                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$denconv    .10000000E-06
$thize      .10000000E-04
$thime        5
$scfdamp   start= .500  step= .050  min= .100
$scfdump
$scfintunit
 unit=30       size=2        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-10
   maxiter=25
$optimize
   internal   on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=7  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.1
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$lock off
$amatrix
$traloop        1
$mointunit
 type=intermed unit=61       size=5        file=halfint.16004
 type=1111     unit=62       size=1        file=moint#0.16004
 type=1112     unit=63       size=1        file=moint#1.16004
 type=1122     unit=64       size=1        file=moint#j.16004
 type=1212     unit=65       size=1        file=moint#k.16004
 type=1212a    unit=70       size=0        file=moint#a.16004
$statistics  off
$energy      SCF               SCFKIN            SCFPOT
   1   -227.8503374118    225.9066892895   -453.7570267013
   2   -227.8503374123    225.9066926083   -453.7570300207
   3   -227.8861410530    226.0783499979   -453.9644910510
   4   -227.8901321516    226.0906041474   -453.9807362989
   5   -227.8911551546    226.0441036329   -453.9352587875
   6   -227.8912766280    226.0607543115   -453.9520309395
   7   -227.8913383081    226.0613968604   -453.9527351686
   8   -227.8913599336    226.0620001256   -453.9533600592
   9   -227.8913602304    226.0619038626   -453.9532640930
  10   -227.8913602198    226.0619031382   -453.9532633580
$last SCF energy change = 0.10584756E-07
$grad          cartesian gradients
  cycle =   2    SCF energy =   -227.8503374123   |dE/dxyz| =  0.308844
    0.00000000000000      2.74561664135270      0.00000000000000      c
   -2.19117122008630      1.32280832067635      0.00000000000000      c
   -2.39117122008630     -1.32280832067635      0.00000000000000      c
    0.00000000000000     -2.69561664135270      0.00000000000000      c
    2.29117122008630     -1.42280832067635      0.00000000000000      c
    2.19117122008630      1.32280832067635      0.00000000000000      c
    0.00000000000000      4.62652189506902      0.00000000000000      h
   -4.15864701652176      2.34326094753451      0.00000000000000      h
   -4.05864701652176     -2.24326094753451      0.00000000000000      h
    0.10000000000000     -4.68652189506902      0.00000000000000      h
    4.15864701652176     -2.34326094753451      0.00000000000000      h
    4.05864701652176      2.44326094753451      0.00000000000000      h
  -.20334981726604D-01  0.13768077962195D+00  0.00000000000000D+00
  0.11895711002168D+00  0.10394021846339D-02  0.00000000000000D+00
  -.15620813923274D+00  -.49732214639857D-01  0.00000000000000D+00
  0.20637185315959D-01  -.48048617757839D-01  0.00000000000000D+00
  0.20476203308914D-01  -.57571337952116D-01  0.00000000000000D+00
  -.65489697032521D-01  -.52338022321393D-02  0.00000000000000D+00
  0.68889525982356D-04  -.97382610303293D-01  0.00000000000000D+00
  -.59507269777505D-01  0.22803045103209D-01  0.00000000000000D+00
  0.72159565911911D-01  0.37258958508509D-01  0.00000000000000D+00
  0.94017890623997D-02  0.30429978205819D-01  0.00000000000000D+00
  0.19063811179277D-01  -.30933873752032D-02  0.00000000000000D+00
  0.40775533525887D-01  0.31849807527255D-01  0.00000000000000D+00
  cycle =   3    SCF energy =   -227.8861410530   |dE/dxyz| =  0.072732
   -0.16414135083778      2.56844962264129      0.00000000000000      c
   -2.39550613346964      1.13751609491409      0.00000000000000      c
   -2.19239584022329     -1.43404466628855      0.00000000000000      c
    0.20099103325633     -2.59293859331870      0.00000000000000      c
    2.35070659489615     -1.16151137242889      0.00000000000000      c
    2.19784911871448      1.48348355198014      0.00000000000000      c
   -0.30281019246670      4.54251943241125      0.00000000000002      h
   -4.30932467433290      2.04562204310932     -0.00000000000001      h
   -3.83833221730593     -2.57493656256403     -0.00000000000001      h
    0.34894062158854     -4.63967391618387      0.00000000000002      h
    4.20515936839337     -2.02537011988508      0.00000000000000      h
    3.92611675810762      2.64046349268627     -0.00000000000001      h
  0.32272037203498D-02  0.14935038975822D-01  0.00000000000000D+00
  0.14349551023517D-01  -.17964975624247D-01  0.00000000000000D+00
  -.22990062116469D-01  0.77608709243062D-02  0.00000000000000D+00
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  -.15441394304329D-01  -.12731200585291D-01  0.00000000000000D+00
  -.79699615107070D-03  0.57773500827667D-02  0.00000000000000D+00
  0.33346046356727D-02  -.36636055449855D-01  0.00000000000000D+00
  -.31673958369874D-01  0.10216183257271D-01  0.00000000000000D+00
  0.17884769242254D-01  0.13658478563787D-01  0.00000000000000D+00
  0.21698920474845D-02  -.28270436286712D-02  0.00000000000000D+00
  0.14153879587316D-02  0.37286820008658D-02  0.00000000000000D+00
  0.14707782009957D-01  0.81112107140074D-02  0.00000000000000D+00
  cycle =   4    SCF energy =   -227.8901321516   |dE/dxyz| =  0.034288
   -0.08667245568784      2.63022647205742      0.00000000000000      c
   -2.31480709253202      1.21146645255775      0.00000000000000      c
   -2.22372832466821     -1.38890043038672      0.00000000000000      c
    0.11053124102962     -2.61924507655893      0.00000000000000      c
    2.30778607405087     -1.23748894553429      0.00000000000000      c
    2.20564152522025      1.40850492737927      0.00000000000000      c
   -0.16741175607176      4.66705443829332      0.00000000000002      h
   -4.06018463770168      2.21173961534834     -0.00000000000002      h
   -3.94076611247903     -2.49085258526070     -0.00000000000001      h
    0.17182704893743     -4.66509566085582      0.00000000000002      h
    4.08042727047352     -2.25988433343098      0.00000000000000      h
    3.93099188155600      2.48266024472828     -0.00000000000002      h
  0.49345203513567D-02  0.95171227316210D-02  0.00000000000000D+00
  -.16583960895038D-01  -.28249284000407D-02  0.00000000000000D+00
  -.38821183477520D-02  0.15123580618647D-02  0.00000000000000D+00
  0.10397264467230D-01  0.99745689377347D-03  0.00000000000000D+00
  -.18423855619771D-02  -.44009887657860D-02  0.00000000000000D+00
  -.46455364727801D-02  0.12261558697717D-01  0.00000000000000D+00
  0.75904262607731D-03  -.32590969316011D-02  0.00000000000000D+00
  0.17906714047431D-01  -.42470596203438D-02  0.00000000000000D+00
  0.30025912531547D-02  0.45042002402986D-03  0.00000000000000D+00
  -.63645068721549D-03  -.60956031844734D-03  0.00000000000000D+00
  -.32359378269817D-02  -.61022982400841D-02  0.00000000000000D+00
  -.61737432949079D-02  -.32949839745341D-02  0.00000000000000D+00
  cycle =   5    SCF energy =   -227.8911551546   |dE/dxyz| =  0.015244
    0.24419499119398      2.61039357615046      0.00000000000000      c
   -2.15250185252876      1.50039237036088      0.00000000000000      c
   -2.38688312290327     -1.09515036169987      0.00000000000000      c
   -0.22494897314069     -2.60975337595010      0.00000000000000      c
    2.14221493170666     -1.51701463858679      0.00000000000000      c
    2.37820348669883      1.11167889018292      0.00000000000000      c
    0.41326550468076      4.64848664076224      0.00000000000002      h
   -3.81843203791462      2.69529698615785     -0.00000000000001      h
   -4.23596823267447     -1.97077273585634     -0.00000000000001      h
   -0.41837141768347     -4.64850714621409      0.00000000000002      h
    3.81629187506407     -2.69668951353208      0.00000000000001      h
    4.23988420117195      1.96567404856752     -0.00000000000002      h
  0.63143561930744D-02  0.19965517930016D-02  0.00000000000000D+00
  -.37835201080645D-02  -.61211540872238D-02  0.00000000000000D+00
  -.44814159893775D-02  0.47396680914181D-02  0.00000000000000D+00
  0.57802806481873D-02  -.33036612605411D-03  0.00000000000000D+00
  -.17684590339671D-02  -.45299253931526D-02  0.00000000000000D+00
  -.18002523303815D-02  0.49899178512529D-02  0.00000000000000D+00
  -.47251831452786D-03  -.33443190578572D-03  0.00000000000000D+00
  -.12667142166687D-02  0.17490068363289D-02  0.00000000000000D+00
  0.16373992466426D-03  -.52424285274374D-03  0.00000000000000D+00
  -.38180182655396D-03  -.90642719655705D-03  0.00000000000000D+00
  0.59705284379907D-03  -.99122235504540D-03  0.00000000000000D+00
  0.10992522547377D-02  0.26262526093331D-03  0.00000000000000D+00
  cycle =   6    SCF energy =   -227.8912766280   |dE/dxyz| =  0.010174
    0.83391000285780      2.48442309129358      0.00000000000000      c
   -1.74600955006108      1.95542204133929      0.00000000000000      c
   -2.56880652185176     -0.52081208524186      0.00000000000000      c
   -0.82136239085296     -2.48750060250674      0.00000000000000      c
    1.73539071585195     -1.96405890608162      0.00000000000000      c
    2.56697184448188      0.53300169630693      0.00000000000000      c
    1.47096226362171      4.42887087211114      0.00000000000002      h
   -3.09654181559643      3.49201164822053     -0.00000000000001      h
   -4.57061404660604     -0.94491065816122     -0.00000000000001      h
   -1.47439264671250     -4.42706422881957      0.00000000000002      h
    3.09689502830535     -3.49160845142711      0.00000000000001      h
    4.57256989955814      0.93703783188966     -0.00000000000002      h
  0.46027545985863D-02  -.11623532198593D-02  0.00000000000000D+00
  -.40789506618629D-02  -.29414057890596D-02  0.00000000000000D+00
  -.17932264597679D-03  0.38713108161560D-02  0.00000000000000D+00
  0.33301245451124D-02  -.39829081132133D-03  0.00000000000000D+00
  -.28862948323015D-02  -.23796367742837D-02  0.00000000000000D+00
  -.66822190749285D-03  0.37623204934976D-02  0.00000000000000D+00
  -.24844015159214D-03  0.23075673259832D-03  0.00000000000000D+00
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  -.73079927594758D-04  -.57980193812256D-03  0.00000000000000D+00
  -.29483870142177D-03  -.26667505615487D-03  0.00000000000000D+00
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  0.60990643334757D-04  -.19217612222255D-03  0.00000000000000D+00
  cycle =   7    SCF energy =   -227.8913383081   |dE/dxyz| =  0.005186
    2.02683822139728      1.66120456286577      0.00000000000000      c
   -0.43154054456532      2.58510370157447      0.00000000000000      c
   -2.45165591621991      0.92520054114502      0.00000000000000      c
   -2.02311491812619     -1.66620863042598      0.00000000000000      c
    0.42527746503346     -2.58631019400281      0.00000000000000      c
    2.45432332871925     -0.91875643604959      0.00000000000000      c
    3.60457453109754      2.96417601108705      0.00000000000002      h
   -0.76171057326664      4.60401481148952     -0.00000000000001      h
   -4.36973967748238      1.63756077840733     -0.00000000000001      h
   -3.60660812893541     -2.96164666636447      0.00000000000002      h
    0.76423829433288     -4.60392519805386      0.00000000000001      h
    4.36772461810814     -1.64296270164422     -0.00000000000002      h
  0.11049789202507D-02  -.16776991965666D-02  0.00000000000000D+00
  -.20461128655923D-02  -.43650214606160D-03  0.00000000000000D+00
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  -.17090737994763D-02  -.48825758271920D-03  0.00000000000000D+00
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  -.25182600113092D-03  -.34438684758761D-03  0.00000000000000D+00
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  -.60118708654966D-04  -.19028823443130D-03  0.00000000000000D+00
  cycle =   8    SCF energy =   -227.8913599336   |dE/dxyz| =  0.000519
    2.52609264103417      0.69909505604427      0.00000000000000      c
    0.65754124798249      2.53654082778206      0.00000000000000      c
   -1.86815245045125      1.83784571825218      0.00000000000000      c
   -2.52591262652999     -0.69892956506689      0.00000000000000      c
   -0.65753441598581     -2.53656037765045      0.00000000000000      c
    1.86821203610956     -1.83780101018037      0.00000000000000      c
    4.49781355554322      1.24468944837408      0.00000000000002      h
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   -3.32827180097416      3.27081291973354     -0.00000000000001      h
   -4.49770686770875     -1.24407444773238      0.00000000000002      h
   -1.17064675201705     -4.51702564298576      0.00000000000001      h
    3.32549227888371     -3.27379597035209     -0.00000000000002      h
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  -.53839131531397D-04  -.10140828357522D-03  0.00000000000000D+00
  cycle =  10    SCF energy =   -227.8913602198   |dE/dxyz| =   .000310
    1.33563533585525      2.25482463726339       .00000000000000      c
   -1.28476870875839      2.28418097576623       .00000000000000      c
   -2.62044135240211       .02945668895693       .00000000000000      c
   -1.33568962253482     -2.25478193042636       .00000000000000      c
    1.28486323189801     -2.28413562334570       .00000000000000      c
    2.62040305801609      -.02937551736161       .00000000000000      c
    2.37838815893572      4.01494674651861       .00000000000002      h
   -2.28781407786052      4.06729590759061      -.00000000000001      h
   -4.66615317930232       .05078048840869      -.00000000000001      h
   -2.37852984481245     -4.01486406685016       .00000000000002      h
    2.28797147893243     -4.06719254047447       .00000000000001      h
    4.66611432200716      -.05298312016949      -.00000000000002      h
  -.66862609838088D-04   .53945418925408D-04   .00000000000000D+00
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   .80250841908609D-05  -.12537621691528D-03   .00000000000000D+00
  -.40449157046852D-07   .54759024874239D-05   .00000000000000D+00
   .38393311060096D-05  -.62958840460818D-05   .00000000000000D+00
   .11408654088864D-05  -.55790821432960D-04   .00000000000000D+00
$maximum norm of cartesian gradient = 0.23814916E-03
$maximum norm of internal gradient =  .18122338E-03
$forceapprox          (8f10.5)
# approximate force constant matrix for project :
#  --->  Benzene  <---
   0.58432
   0.00317   0.21528
   0.00000   0.00000   0.20000
  -0.00236   0.00489   0.00000   0.48364
  -0.00677   0.00080   0.00000   0.00257   0.17965
   0.00000   0.00000   0.00000   0.00000   0.00000   0.20000
  -0.00446   0.00212   0.00000   0.00053  -0.00330   0.00000   0.56077
  -0.00341   0.00714   0.00000   0.00586   0.00517   0.00000  -0.00248   0.45172
#  coordinates    9 to   16
   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   0.20000
   0.00144   0.00065   0.00000  -0.00631  -0.00005   0.00000   0.00098  -0.00055
   0.00000   0.51078
   0.00077   0.00176   0.00000  -0.00027   0.00254   0.00000   0.00031  -0.00485
   0.00000  -0.00048   0.20370
   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   0.00000   0.00000   0.00000   0.20000
   0.00257   0.00013   0.00000  -0.00697   0.00105   0.00000   0.00130   0.00194
   0.00000  -0.00162  -0.00059   0.00000   0.55594
  -0.01120   0.00636   0.00000   0.00420  -0.00527   0.00000  -0.00571  -0.00646
   0.00000  -0.00021   0.00016   0.00000   0.00163   0.16917
   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.20000
  -0.00010   0.00164   0.00000   0.00289   0.00194   0.00000   0.00072   0.00306
   0.00000  -0.00288  -0.00027   0.00000  -0.00303   0.00293   0.00000   0.46884
#  coordinates   17 to   24
  -0.00345   0.00353   0.00000   0.00525   0.00121   0.00000  -0.00212  -0.00739
   0.00000  -0.00027  -0.00185   0.00000   0.00178  -0.00470   0.00000   0.00295
   0.30627
   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
   0.00000   0.20000
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   0.00000   0.00297  -0.01052   0.00000  -0.00071  -0.00133   0.00000   0.00494
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$dipole
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   | dipole | =     .0002704405  debye
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              .15195719
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23  8    .3522806467
24  1   -.4048935292    .3361265019   -.0100901004    .0556999562   -.0453268669
24  2    .3185397227   -.5221060728    .0257581746    .0000000000    .0000000000
24  3   -.4066394608   -.3565054464   -.0952446917    .5628813029    .0000000000
24  4    .0000000000    .0000000000   -.1443575415   -.5498921981   -.4038197774
24  5    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
24  6    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
24  7    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
24  8    .0000000000
25  1   -.1108195057   -.2227796495   -.0605320256   -.0536594505    .0112721820
25  2    .0398419124    .0000000000    .0000000000    .1669797247   -.3242750025
25  3    .0000000000    .0000000000    .0000000000    .0000000000   -.0055956013
25  4   -.2913821227   -.3063876968    .0000000000    .0000000000    .0000000000
25  5    .1279426880    .0198976165   -.0026935323    .0054567672   -.0042736623
25  6    .0042215115    .1226898362   -.0353188776    .1216862070   -.1429202381
25  7   -.4057022137    .3672898785    .4397053338   -.3798795387    .4340294355
25  8   -.4077139812
26  1    .0352542278    .0043025883   -.2356674000    .0523561329   -.3992793318
26  2   -.0254153020    .0000000000    .0000000000   -.1935497674   -.0970142231
26  3    .0000000000    .0000000000    .0000000000    .0000000000   -.2806514085
26  4    .0032313511    .0050783285    .0000000000    .0000000000    .0000000000
26  5   -.0600527010    .5425652987   -.1968503241    .5397779118   -.4065566813
26  6    .4037443744    .1675969160    .5053868759    .3101201805    .2559215538
26  7    .0042925582   -.0053863968   -.0033770461    .0020627118   -.0062791253
26  8    .0043157054
27  1   -.0056565039    .2568876225   -.3152345863   -.0520927246    .1569421485
27  2    .4058337122    .2831798098    .4393491192    .0000000000    .0000000000
27  3   -.4068903292    .3565714318    .4401125038    .3639471110    .0000000000
27  4    .0000000000    .0000000000   -.4041220271    .3996755365    .4034113371
27  5    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
27  6    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
27  7    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
27  8    .0000000000
28  1   -.1286973403   -.1883680041    .1192884696   -.2655598917    .2262791968
28  2    .0557445432    .0000000000    .0000000000   -.0575689512    .2567746099
28  3    .0000000000    .0000000000    .0000000000    .0000000000   -.2419449091
28  4    .1493746658   -.1550815508    .0000000000    .0000000000    .0000000000
28  5   -.3395951710   -.3309765369   -.4850869365    .0851160250   -.3524395293
28  6   -.3472155853    .3521537566   -.3000276511    .3574944001   -.0332780760
28  7    .2066826785    .0981065571   -.2766480545    .0978602008    .2756882318
28  8   -.2080172337
29  1    .0251948753    .0236650490   -.1344874874   -.0668742590   -.2783009587
29  2   -.0164673409    .0000000000    .0000000000    .2613241850    .2058105210
29  3    .0000000000    .0000000000    .0000000000    .0000000000    .1431547812
29  4    .2502180201   -.2644222837    .0000000000    .0000000000    .0000000000
29  5    .2900549694    .0749287101    .2875424066   -.0496168023    .2088199597
29  6    .2057560105   -.0975900991    .2760412717   -.1344123109    .2236729693
29  7    .3488417414    .1691791123   -.4656126124    .1603490720    .4669492379
29  8   -.3510910055
30  1    .2759389141    .0493081038   -.4474553341   -.1337756918    .2806325633
30  2    .0332058050    .2387159539   -.4649108066    .0000000000    .0000000000
30  3   -.4069281954   -.3567707461    .5351416830   -.1990626757    .0000000000
30  4    .0000000000    .0000000000    .5484668464    .1495651077   -.4034118257
30  5    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
30  6    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
30  7    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
30  8    .0000000000
31  1   -.1289274440   -.1879250955    .1216029199   -.2682872394    .2290465290
31  2    .0559492243    .0000000000    .0000000000    .1707753874   -.1960153583
31  3    .0000000000    .0000000000    .0000000000    .0000000000    .2449636454
31  4    .1417800236    .1495157480    .0000000000    .0000000000    .0000000000
31  5   -.4099230740    .2500500318    .3175309142    .3842707845    .3573669678
31  6   -.3518229632    .4673000808    .0311218923    .0347727015    .3607162417
31  7    .1999042070    .2775995295   -.0481317386   -.2767577795   -.0556453515
31  8    .1985423951
32  1    .0046748968    .0631623505    .0719084647   -.3100912141   -.0315183131
32  2    .0017855209    .0000000000    .0000000000   -.3220776586   -.0926758680
32  3    .0000000000    .0000000000    .0000000000    .0000000000    .1345816781
32  4   -.2545418257   -.2674647145    .0000000000    .0000000000    .0000000000
32  5   -.2904846461    .0048778432    .1792219726    .2157279792    .2010784335
32  6   -.1979468993    .2337510559    .1609581085   -.1930939607    .1683844695
32  7   -.3553268101   -.4927375426    .0895102715    .4929453001    .0937406805
32  8   -.3528980818
33  1    .1585518153   -.0791616666   -.2746831005   -.1077376244    .2021730715
33  2   -.4268854789   -.5220570696    .0257948089    .0000000000    .0000000000
33  3   -.4068140784    .3564972303    .0948186079   -.5630294417    .0000000000
33  4    .0000000000    .0000000000   -.1443116032   -.5496419020    .4038703428
33  5    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
33  6    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
33  7    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
33  8    .0000000000
34  1   -.1112757848   -.2219013935   -.0559426368   -.0590675855    .0167596031
34  2    .0402477802    .0000000000    .0000000000   -.1666920473    .3244282981
34  3    .0000000000    .0000000000    .0000000000    .0000000000   -.0026003664
34  4   -.2913438079    .3063315146    .0000000000    .0000000000    .0000000000
34  5    .1279711347    .0201420947    .0029656946   -.0060107882   -.0046693260
34  6   -.0046527715    .1229116395   -.0346809195   -.1222843941    .1424531658
34  7   -.4072573518   -.3702772547   -.4422085003   -.3767044843    .4320901368
34  8    .4056588736
35  1   -.0057824965    .0832909690    .1770919891   -.4340394616    .0942470820
35  2    .0110875460    .0000000000    .0000000000    .1938247895    .0964344130
35  3    .0000000000    .0000000000    .0000000000    .0000000000   -.2805029362
35  4    .0046994256   -.0019444362    .0000000000    .0000000000    .0000000000
35  5   -.0609485620    .5422543702    .2009619950   -.5376397014   -.4074335724
35  6   -.4038025085    .1678512526    .5053023343   -.3104696647   -.2558510605
35  7    .0046802494    .0057454203    .0038156684    .0023675892   -.0066623249
35  8   -.0046598804
36  1   -.2404865089    .0000000000    .0303301859    .0000000000    .0000000000
36  2   -.5142441514    .2833519562    .4392121483    .0000000000    .0000000000
36  3   -.4067518573   -.3566748088   -.4398708644   -.3639573009    .0000000000
36  4    .0000000000    .0000000000   -.4038050090    .3998305476   -.4039600124
36  5    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
36  6    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
36  7    .0000000000    .0000000000    .0000000000    .0000000000    .0000000000
36  8    .0000000000
$vibrational spectrum
#  mode     symmetry     wave number     intensity     selection rules
#                         cm**(-1)         a.u.          IR     RAMAN
     1                         .00        .0000000        -       -
     2                         .00        .0000000        -       -
     3                         .00        .0000000        -       -
     4                         .00        .0000000        -       -
     5                         .00        .0000000        -       -
     6                         .00        .0000000        -       -
     7        a             478.01        .0000000       YES     YES
     8        a             478.04        .0000000       YES     YES
     9        a             700.01        .0000000       YES     YES
    10        a             700.04        .0000000       YES     YES
    11        a             811.17        .0252173       YES     YES
    12        a             841.09        .0000000       YES     YES
    13        a            1037.82        .0000000       YES     YES
    14        a            1037.93        .0000000       YES     YES
    15        a            1154.01        .0000000       YES     YES
    16        a            1156.48        .0000000       YES     YES
    17        a            1172.18        .0000000       YES     YES
    18        a            1190.67        .0000000       YES     YES
    19        a            1190.73        .0000000       YES     YES
    20        a            1214.77        .0000000       YES     YES
    21        a            1225.81        .0002305       YES     YES
    22        a            1225.87        .0002307       YES     YES
    23        a            1371.47        .0000000       YES     YES
    24        a            1371.50        .0000000       YES     YES
    25        a            1377.17        .0000000       YES     YES
    26        a            1595.39        .0000000       YES     YES
    27        a            1772.41        .0155471       YES     YES
    28        a            1772.47        .0155385       YES     YES
    29        a            1932.00        .0000000       YES     YES
    30        a            1932.12        .0000000       YES     YES
    31        a            3704.87        .0000000       YES     YES
    32        a            3723.22        .0000001       YES     YES
    33        a            3723.35        .0000001       YES     YES
    34        a            3736.91        .0090348       YES     YES
    35        a            3737.03        .0090416       YES     YES
    36        a            3747.81        .0000000       YES     YES
$cartesianforce interspace          (8f10.5)
# approximate force constant matrix for project :
#  --->  Benzene  <---
    .48725
    .00000    .16107
    .00000    .00000    .15425
    .00050   -.00230    .00000    .48718
   -.00230   -.00332    .00000    .00000    .16107
    .00000    .00000    .02512    .00000    .00000    .15427
   -.00014    .00071    .00000    .00050    .00228    .00000    .48724
    .00070    .00339    .00000   -.00230    .00331    .00000    .00006    .16108
#  coordinates    9 to   16
    .00000    .00000    .00057    .00000    .00000   -.02512    .00000    .00000
    .15426
    .00045    .00000    .00000   -.00014   -.00070    .00000    .00049    .00230
    .00000    .48723
    .00000   -.00052    .00000   -.00070    .00338    .00000    .00232   -.00331
    .00000    .00000    .16106
    .00000    .00000   -.00606    .00000    .00000    .00055    .00000    .00000
    .02509    .00000    .00000    .15425
   -.00014   -.00070    .00000    .00045    .00000    .00000   -.00015   -.00070
    .00000    .00050   -.00229    .00000    .48720
   -.00070    .00338    .00000    .00000   -.00052    .00000    .00069   -.00338
    .00000   -.00229   -.00331    .00000    .00000    .16106
    .00000    .00000    .00055    .00000    .00000   -.00607    .00000    .00000
   -.00054    .00000    .00000    .02510    .00000    .00000    .15426
    .00050    .00229    .00000   -.00014    .00070    .00000    .00045    .00001
    .00000   -.00014    .00070    .00000    .00050    .00230    .00000    .48721
#  coordinates   17 to   24
   -.00230    .00331    .00000    .00070    .00338    .00000    .00001    .00052
    .00000   -.00070   -.00338    .00000    .00230   -.00331    .00000    .00002
    .16108
    .00000    .00000   -.02511    .00000    .00000    .00056    .00000    .00000
    .00606    .00000    .00000   -.00055    .00000    .00000    .02510    .00000
    .00000    .15427
   -.00188    .02444    .00000   -.00187    .02443    .00000   -.00045    .00028
    .00000   -.00100    .00251    .00000   -.00099    .00250    .00000   -.00046
    .00027    .00000    .58882
   -.00046    .00028    .00000   -.00188   -.02444    .00000   -.00187    .02441
    .00000   -.00047   -.00027    .00000   -.00099   -.00250    .00000   -.00098
   -.00250    .00000    .08743    .58869
   -.00099   -.00250    .00000   -.00046   -.00027    .00000   -.00190   -.02447
    .00000   -.00189   -.02443    .00000   -.00047    .00026    .00000   -.00100
    .00250    .00000   -.06851    .08740    .58851
   -.00099    .00250    .00000   -.00099    .00249    .00000   -.00048   -.00026
    .00000   -.00189    .02444    .00000   -.00189    .02443    .00000   -.00047
   -.00027    .00000    .05819   -.06849    .08739    .58856
   -.00046   -.00027    .00000   -.00099   -.00250    .00000   -.00100    .00251
    .00000   -.00047    .00026    .00000   -.00188   -.02444    .00000   -.00189
   -.02445    .00000   -.06851    .05819   -.06850    .08741    .58873
   -.00188   -.02444    .00000   -.00046    .00028    .00000   -.00098   -.00249
    .00000   -.00099   -.00250    .00000   -.00047   -.00027    .00000   -.00187
    .02442    .00000    .08742   -.06851    .05819   -.06849    .08741    .58857
#  coordinates   25 to   30
   -.01050   -.00001    .00000    .00526    .02052    .00000    .00527   -.02055
    .00000   -.01051    .00001    .00000    .00525    .02052    .00000    .00525
    .02051    .00000    .01927   -.03850    .01924    .01925   -.03850    .01927
    .37258
    .00001    .02370    .00000   -.00909    .01183    .00000    .00909    .01181
    .00000   -.00001    .02371    .00000   -.00911    .01186    .00000    .00910
   -.01187    .00000    .03337    .00003   -.03336    .03334   -.00001   -.03333
    .00000    .37256
   -.01319   -.00001    .00000    .01319    .00001    .00000   -.01319    .00005
    .00000    .01319   -.00001    .00000   -.01319    .00001    .00000    .01319
   -.00002    .00000    .00000   -.00001    .00001    .00000    .00000    .00001
   -.00001    .00001    .37705
    .00000    .00000    .00000    .00000    .00000   -.04615    .00000    .00000
    .04615    .00000    .00000   -.00001    .00000    .00000   -.04614    .00000
    .00000   -.04614    .00000    .00000    .00000    .00000    .00000    .00000
    .00000    .00000    .00000    .10698
    .00000    .00000   -.05328    .00000    .00000   -.02664    .00000    .00000
   -.02663    .00000    .00000   -.05328    .00000    .00000   -.02664    .00000
    .00000    .02665    .00000    .00000    .00000    .00000    .00000    .00000
    .00000    .00000    .00000    .00000    .10697
    .00000    .00000   -.05210    .00000    .00000   -.05211    .00000    .00000
    .05210    .00000    .00000    .05210    .00000    .00000    .05210    .00000
    .00000    .05210    .00000    .00000    .00000    .00000    .00000    .00000
    .00000    .00000    .00000    .00000    .00000    .12948
$end
