#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "BpreC23a.gbw" end

* xyz 1 1
  C          -0.08529314670881      3.03594015949687      1.44025309961570
  H          -0.00461819992342      2.05231110267340      1.90528623968788
  H          -0.59175368275271      3.69104344471710      2.15281131823860
  C          -0.93072046511471      2.92408828410740      0.24243832452530
  C          -1.57296436927763      2.96800863097258     -0.79444333209985
  H          -2.12638225374983      3.21658480388966     -1.67903458153414
  C           2.35167440615534      3.63750141175429     -1.13731168434801
  H           2.85658928594559      3.18521655362084     -1.98411483095396
  H           2.19575829384479      4.71115119292441     -1.16760470035372
  C           1.95443093774626      2.91998272276435     -0.08653464861124
  C           1.30465852534291      3.59857494729249      1.09531705241100
  H           1.92850790446193      3.49613267998974      1.98762952564726
  H           1.21801083644838      4.66476631211203      0.88162220454827
  Au         -1.45442775814141      0.77322086948111     -0.34317575560847
  P          -1.76819666723680     -1.48269318393503     -0.18262710963438
  C          -3.51563027746364     -1.93408882315338     -0.26329750080456
  C          -0.95534490206867     -2.46765132504163     -1.45721465016379
  C          -1.17841127740559     -2.08824333933603      1.41354242053051
  H          -1.74796793115730     -1.59936429924504      2.20630568925782
  H          -1.31567123807501     -3.16981555094375      1.47933911999404
  H          -0.12378256203992     -1.83999367699952      1.53222374891181
  H          -4.06295949713510     -1.41735147153800      0.52675614043628
  H          -3.62109003543162     -3.01417462152240     -0.13609798981426
  H          -3.92527629313525     -1.63968142477138     -1.23113603065184
  H          -1.32894335383218     -2.16377412618228     -2.43695591420463
  H          -1.17090104672736     -3.52658143400684     -1.29730504603102
  H           0.12045337002773     -2.30079981800506     -1.42110088851757
  C           2.12737021538790      1.44292412460286     -0.05140988758911
  C           2.38032490150000      0.76870455674052      1.14626929116083
  C           2.07695524481916      0.68285765242958     -1.21874697792927
  C           2.62110077155589     -0.58743471458521      1.13818320905264
  H           2.44385390847955      1.29130265813421      2.09384439847687
  C           2.31545935409047     -0.68473088122832     -1.20418862717149
  H           1.84039934190520      1.16196081001425     -2.16174864948869
  C           2.60993520199177     -1.37221580344001     -0.02161591914321
  H           2.26954049643015     -1.23010495482732     -2.13754179413728
  N           2.94579298580389     -2.73598233850641      0.01926346914412
  C           3.20249924444915     -3.36742404194759     -1.26637556594809
  C           2.11703676777732     -3.59210171813237      0.86873863489734
  H           3.61883473915085     -4.35955116635966     -1.08145398756980
  H           2.29383633157629     -3.48682314560456     -1.87425659364173
  H           3.93345798909487     -2.79009582448183     -1.83493739361158
  H           1.15494644734877     -3.82161129402127      0.39111380702032
  H           2.64560172201214     -4.53190100368998      1.04323269681641
  H           1.92630986742065     -3.12514115716921      1.83140242149010
  F           2.93543480660987     -1.17312007904356      2.32445634769860
*

