#
#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
  Au         -0.13836329102097     -1.79976586083118      0.14909685813806
  C           0.92854537457371      0.39745414608103      1.37614434651020
  C          -0.26630884522741      0.06341638836551      1.12591926926815
  C           0.02901542270174      2.60200381844678      2.03119480576237
  C           1.14483693615757      2.15401838719587      2.66033817104869
  H           1.05797630543540      1.55157456657534      3.55706655554020
  C          -1.53301600960874      0.79805188090647      1.36185562802450
  H          -2.31790736235486      0.14717068022330      1.74795339672575
  H          -1.87693982446232      1.19159747667993      0.40151509703385
  C          -1.27329774338627      1.96736844597744      2.36420634870525
  P          -0.12611303186621     -3.82051535974792     -0.93158092084287
  C           0.53191322614926     -3.73258209062039     -2.61406283297106
  C           0.86259004500959     -5.08344641744068     -0.09545257894940
  H           1.99204803048518      0.27159311258314      1.28113220491325
  C          -1.77686894593859     -4.53968246248902     -1.10081053320131
  H          -2.41512006429534     -3.85644489188486     -1.66394089628999
  H          -1.71489640068032     -5.49649144186310     -1.62456632127619
  H          -2.20994844248209     -4.69349580078144     -0.11077583546209
  H          -0.06765361273425     -3.03570343546277     -3.20239629736197
  H           0.50242143616995     -4.72148774736609     -3.07768814549898
  H           1.56250361456958     -3.37443667541778     -2.58371521270914
  H           1.89809088824021     -4.74599766969537     -0.02344864073293
  H           0.82209525982755     -6.01997530749837     -0.65669499653814
  H           0.47193437785268     -5.24393083797094      0.91101115422919
  H           2.12659540429958      2.54645105435704      2.42040122228951
  H          -2.11007244821234      2.66163853391317      2.29233224918851
  H          -1.23717438769567      1.55920842500809      3.37412752259152
  C           0.10470091403922      3.55443372723136      0.89424403419941
  C          -0.93074930931880      4.46292322715687      0.66546251191810
  C           1.21109511090382      3.55517846267101      0.03907339339866
  C          -0.86117826717416      5.36460491174334     -0.38405435203745
  H          -1.79279547008957      4.48711738478810      1.31983173150419
  C           1.28684528084444      4.44316194517492     -1.01828137729904
  H           2.01230539988144      2.84135538620138      0.18590377719348
  C           0.24785367947980      5.35074086496614     -1.22662707599628
  H          -1.66167849541423      6.07499416767335     -0.55151151374820
  H           2.14093057150721      4.43416205749226     -1.68471598116467
  C           0.31974907613507      6.27724071331949     -2.32672553386347
  N           0.37676047769907      7.01681279433843     -3.20557662223966
*

