#
#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         -0.13666774321630     -3.27873257789572     -0.02821513961065
  C          -1.72377230032628     -1.16927320235580      0.76634070473737
  C          -1.30325379101756     -1.56012969835434     -0.36588819178263
  C          -2.51951038413730      0.85511006055436     -0.34155572565135
  C          -3.19473253393575      0.38623852571548      0.74033135161392
  H          -4.00814667951669     -0.31701113944921      0.60611473437035
  C          -1.48711888722759     -0.93795661904451     -1.69944941004214
  H          -1.71675898789835     -1.67513693673755     -2.46920466762898
  H          -0.54606334472640     -0.45645252996727     -1.97884152278186
  C          -2.63481079222671      0.12224078128518     -1.62660817964158
  P           1.16046745855133     -5.15095956940348      0.23113805641356
  C           2.41350832049817     -4.98514462225477      1.52504687395207
  C           0.21415068348313     -6.62898947256698      0.66792277863039
  H          -1.70676223239863     -1.22676382574560      1.84046262294280
  C           2.07531903524469     -5.59373935462495     -1.26487052481618
  H           2.73145833904500     -4.76868148969626     -1.54789874597186
  H           2.67335992420365     -6.48986869981884     -1.08356220653798
  H           1.37318434475552     -5.78261557723941     -2.07889207594310
  H           3.07217555742650     -4.14758733800640      1.28827160747308
  H           3.00135532075582     -5.90347439342828      1.59398807444443
  H           1.92536458918727     -4.79181831436174      2.48197761144488
  H          -0.30992292325137     -6.45982123901346      1.61031224848733
  H           0.88581191721468     -7.48435171477461      0.77225187967143
  H          -0.52004288471891     -6.83482581323045     -0.11304649997538
  H          -3.10506455869999      0.85905872796984      1.71197466160244
  H          -2.54265985067121      0.77540578158179     -2.49380095007484
  H          -3.59212024276079     -0.39619120823900     -1.67066640373903
  C          -1.52329772385232      1.95035339205202     -0.21772353519383
  C          -0.77259334051123      2.10119048258904      0.94552613942904
  C          -1.32604533660939      2.84372707162160     -1.26540516354319
  C           0.15699055875410      3.12066697189281      1.06857722437925
  H          -0.89279618568274      1.40400841875778      1.76326395144735
  C          -0.40627597258540      3.87723465036168     -1.15850718475757
  H          -1.90769012571701      2.75750284695473     -2.17283922169380
  C           0.33162214717823      4.00346639812030      0.00964990521524
  C           0.95172526454800      3.22752062566725      2.35589972387074
  C          -0.24177635079264      4.82430888837409     -2.33178789966325
  N           1.32814031678682      5.09230228125557      0.12857552483537
  F           0.97337606503617      2.05784623142501      3.01461558203297
  F           0.42779588483439      4.13992450224699      3.19227587607267
  F           2.23234304883384      3.57542000181220      2.13040113445092
  F          -1.33393810468293      4.82707879483606     -3.11172411860919
  F           0.79798035151797      4.47756171017416     -3.11062636875734
  F          -0.03972215515596      6.09350006595777     -1.93229924681916
  O           1.09601685650223      5.96348871569092      0.93740524635248
  O           2.30008468796190      5.02691859931212     -0.59151572063516
*

