#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%scf guess moread
moinp "guess.gbw" end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -2.11349887655922     -0.66940584901315      0.58853902298209
  H          -2.24487681262818     -1.58977510196795      0.01770760366906
  H          -2.96191431980203     -0.02732391406938      0.30876242318683
  C          -0.88213488435133      0.05288481157097      0.16205253351903
  C          -0.28806559536265      0.68076392858782      1.26423585087134
  H           0.72204179989708      1.06410784137200      1.25798172696249
  C          -1.28801424669497      1.47765463573517      2.18245826174270
  H          -0.77813771353079      2.29783968491865      2.67121392051853
  H          -2.25258564303968      1.70640879946244      1.74739503573200
  C          -0.98157417827825      0.12192455614580      2.58442112513701
  C          -1.99074754622873     -0.90900729578926      2.10119438448889
  H          -1.61228118679862     -1.91474050883854      2.28844763034238
  H          -2.93956289852845     -0.79696315613820      2.62964174872691
  Au         -0.15727424519268      0.07260841973264     -1.73838044693028
  P           0.66020601849613      0.10416197399562     -3.90806994853868
  C          -0.34831572049758      1.09771301605046     -5.03581000280807
  C           2.33231840553324      0.78234705662423     -4.04518102583389
  C           0.74934806054470     -1.53505711690141     -4.67005084275635
  H          -0.24683314145717     -1.98086146693107     -4.69088110789885
  H           1.13413168259064     -1.45411594659532     -5.68935101904396
  H           1.40973543556939     -2.17438583605281     -4.08127670728856
  H          -1.36315198601142      0.69687204914935     -5.06526797210388
  H           0.08192049546353      1.07585010919485     -6.03978432863687
  H          -0.38591593420532      2.12831225771704     -4.67810053841591
  H           2.34022203376870      1.80788953844000     -3.67137062038197
  H           2.65724501308621      0.77197348547199     -5.08813371127657
  H           3.01846651508202      0.18281511992273     -3.44408501325603
  C          -0.10673621954782     -0.17618410657300      3.75584147728143
  C           0.71621158827815     -1.30392438859768      3.73497953790584
  C          -0.12170605649126      0.64996400767602      4.87264799956030
  C           1.51800538634824     -1.58936938216523      4.82964129092330
  H           0.73441046323803     -1.94528166143503      2.86070260324330
  C           0.68544999747555      0.35299007830637      5.96886446311780
  H          -0.76279802632515      1.52339959403124      4.91177180340767
  C           1.50962815675166     -0.76692067599078      5.95123869856165
  H           2.16354533895295     -2.46096402116202      4.81493907184029
  O           0.62397651357131      1.19827011633704      7.03698700236640
  H           2.13704817404083     -0.99194305962627      6.80848986102282
  H           1.22322108284297      0.88229174740464      7.72775212805975
*

