#
#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          -1.67383244792216     -1.17752667494972      2.49184114751415
  H          -0.86637541456858     -1.70264421392270      1.97995662613118
  H          -2.35324400778371     -1.93440294919229      2.89122131429658
  C          -2.42113758959120     -0.37592412428612      1.51319805961805
  C          -3.13080291201194      0.34552810456874      0.83158088140016
  H          -3.89278370923017      0.96340818205903      0.39786259538934
  C          -0.72628168317578      2.12689156547551      3.49093019582286
  H          -0.16854296635891      3.00695831723986      3.18854777111572
  H          -1.60754665595384      2.28454200565454      4.10453218757660
  C          -0.34457919691750      0.89615801782155      3.14605410520459
  C          -1.12845186383192     -0.30014981193742      3.63217255483601
  H          -0.50410871161969     -0.93904405371251      4.26244189216221
  H          -1.96071096978353      0.04826747695869      4.24551807202172
  Au         -1.38133956174482     -0.02818978527969     -0.51162583905672
  P          -0.04820256891318     -0.15113713055587     -2.36464760077091
  C          -0.94808399558925     -0.79463349944280     -3.79362188206908
  C           0.61372582497718      1.44289910755851     -2.89344910483507
  C           1.36093103619398     -1.25756841806870     -2.14362567804036
  H           0.99381077272307     -2.26283035531125     -1.92887385152995
  H           1.96425093374238     -1.27464892402849     -3.05399397029503
  H           1.96236727335565     -0.91446430196590     -1.30420442693085
  H          -1.32673436091998     -1.79246537357195     -3.56597631163013
  H          -0.27970689419720     -0.84494220254729     -4.65649521960644
  H          -1.78944562767859     -0.13825457186477     -4.02188495054659
  H          -0.21602510204691      2.10762159499950     -3.14112568659554
  H           1.24558432350470      1.30561837598329     -3.77388284852889
  H           1.19518296412654      1.88680333102469     -2.08599665970305
  C           0.82996029813493      0.65305339286095      2.26942059413889
  C           1.59607993416981     -0.50978679447276      2.36877548695571
  C           1.22416597937649      1.58592769419341      1.30628367934389
  C           2.71449844907392     -0.72331031927507      1.57848976869629
  H           1.32857331630625     -1.27494874922053      3.08964212348644
  C           2.34325311175567      1.39612699998768      0.51454674351015
  H           0.63210087640890      2.48303781982651      1.15918211732847
  C           3.13253960389939      0.23665028969470      0.63854848174444
  H           3.26537942345946     -1.64578012789671      1.70191812611652
  H           2.59387999285161      2.15254925374858     -0.21617307540233
  N           4.25709784427663      0.04210435462483     -0.14135718161375
  C           4.47602700748532      0.91909736256964     -1.27983073515690
  C           4.81641383811054     -1.29701660776084     -0.23256619244424
  H           5.41117071946005      0.63786868672863     -1.76219163130435
  H           3.66885347661857      0.85745685255671     -2.02221555382965
  H           4.56991675631541      1.95855236086380     -0.95805435169165
  H           5.68676289586976     -1.26840260131668     -0.88663607273087
  H           5.15038490945849     -1.64954909586268      0.74562831095990
  H           4.09939927818404     -2.02432229055668     -0.63774125105752
*

