#
#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          -2.66788612319373     -1.08516871498343      1.25896590958879
  H          -1.79949177288545     -1.74449513500969      1.30832757560075
  H          -3.56056665762442     -1.70698864804184      1.36459023679933
  C          -2.73072935788313     -0.45919231228800     -0.06787683341944
  C          -2.94979035151479      0.10529917860308     -1.12734956931453
  H          -3.35362890334225      0.57036848144174     -2.00554457532922
  C          -1.54267838327720      2.15516885983831      2.00978107655732
  H          -0.69640156712808      2.83195484678848      1.97055296946507
  H          -2.52343045870066      2.57981049242911      1.82158865457266
  C          -1.40862890314783      0.86092216085036      2.29961369709906
  C          -2.62804321806414     -0.02540553513613      2.37231497832424
  H          -2.67063598443878     -0.55064885341316      3.32848197414737
  H          -3.52302879717922      0.59454709850003      2.30418024604166
  Au         -0.72247186385365     -0.02599100768109     -1.11028750581545
  P           1.45185472956917     -0.00323521629702     -1.82094630393013
  C           1.55007297829729     -0.31839371948076     -3.59838238586181
  C           2.32859998889143      1.55361367284020     -1.56928506448283
  C           2.44538520818743     -1.29795752511736     -1.04733023578226
  H           2.04582721989659     -2.27065895410253     -1.34039433584552
  H           3.48321646865000     -1.21395211332285     -1.37778781584767
  H           2.39402904054069     -1.20815470336313      0.03712614467955
  H           1.08300285279613     -1.27789618466881     -3.82597264987941
  H           2.59708180142556     -0.33737883610697     -3.90993407799509
  H           1.02394493682415      0.47112983972330     -4.13768270299970
  H           1.77524333378884      2.35935938781522     -2.05476848155690
  H           3.32641898524858      1.47967892740675     -2.00842471893887
  H           2.41870420681920      1.76545529253347     -0.50497225722033
  C          -0.07148461468879      0.24436646158634      2.54383570246487
  C           0.06319333082079     -0.89707679515148      3.33883441497212
  C           1.07442262900438      0.81199022681672      1.98425320300302
  C           1.32064400904305     -1.43593200628931      3.58212932679146
  H          -0.80572821894856     -1.36365353412070      3.78509829337489
  C           2.32825877575159      0.27371293800174      2.24334333304910
  H           1.00147484390304      1.67857895208321      1.33920972503997
  C           2.46109924645931     -0.85876590036434      3.04230080190947
  H           1.41500118861124     -2.31845239420763      4.20582828460494
  H           3.44355857701526     -1.28096368173824      3.23105415417779
  O           3.40625942137941      0.88573539253362      1.66790831589227
  H           4.21125715294748      0.40986290109278      1.91563972606336
*

