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

* xyz 1 1
  C          -1.68248566736733     -1.64834588747148      0.40246232943008
  H          -1.27447434679802     -2.57090499689069     -0.01357567646515
  H          -2.69018669360737     -1.55541748402812     -0.02933324644688
  C          -0.91330650459046     -0.46628386370746     -0.07334247300413
  C          -0.82652440157882      0.49086946485957      0.95057144856491
  H          -0.12942349991530      1.31623063534675      0.93530741032165
  C          -2.20027198661157      0.80290496792105      1.65189397494539
  H          -2.21256199492300      1.81962083620496      2.02320250426214
  H          -3.09093511358128      0.47463730780392      1.13159103940757
  C          -1.33884064772986     -0.17016452600431      2.29390572677998
  C          -1.66004855144467     -1.61478314500103      1.93892770427512
  H          -0.87502557319304     -2.27304085742513      2.31396101324664
  H          -2.60715005716320     -1.92232059216340      2.38611696972596
  Au         -0.07541613199797     -0.29270661868303     -1.91734381493580
  P           0.88478819580026     -0.08326704627170     -4.01825514621185
  C           0.35447212729289      1.40260534243608     -4.90517682049371
  C           2.69137197599167      0.01309500189134     -3.96690167632013
  C           0.51360446887225     -1.46006248879393     -5.13219236881725
  H          -0.56652095960458     -1.53350903689493     -5.27187370386717
  H           0.99629548301697     -1.30086322091587     -6.09921229022620
  H           0.87659438525204     -2.39095845373475     -4.69255795352831
  H          -0.72841588700146      1.37889528759867     -5.04033124755678
  H           0.84258138421307      1.44955688857576     -5.88138670819436
  H           0.61844068980843      2.28718286001569     -4.32267864285111
  H           2.99293658516725      0.87474568874586     -3.36845766409966
  H           3.08928876237983      0.11487233169010     -4.97923499622379
  H           3.09123860574022     -0.89288149208243     -3.50776421146565
  C          -0.60043495814394      0.14303449459924      3.55175276608793
  C           0.66377941003345     -0.40975852828438      3.76279887686043
  C          -1.16383459128510      0.96256396410188      4.52627261882536
  C           1.36156358933242     -0.14493748128117      4.92722658698232
  H           1.10746169800493     -1.04406834247682      3.00331269642026
  C          -0.47637845657522      1.23503538351111      5.69965862899126
  H          -2.14953195349453      1.38626342964793      4.37339487865093
  C           0.78636622457743      0.68071587380573      5.89540721388746
  H           2.34591424294565     -0.56708715825552      5.09087356943058
  H          -0.91350840595575      1.87054104646313      6.46047453962411
  C           1.50785040675305      0.96350104901168      7.10947947250097
  N           2.08522114738069      1.18936267613573      8.07820481148683
*

