%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=2) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq calcfc close

1 1
 C                  2.24216900   -2.59087100   -0.04942900
 C                  0.90416300   -2.24396400   -0.34643800
 C                  0.05997300   -3.24944000   -0.83471200
 C                  1.84763000   -4.87820700   -0.72876400
 H                 -0.97422900   -3.00030700   -1.07266400
 H                  2.21506500   -5.89420400   -0.88454600
 C                  0.44454300   -0.85126800   -0.16175700
 C                  1.36629422    0.16045377   -0.14756036
 C                  3.12340400   -1.49898500    0.50341500
 H                  2.88813100   -1.34816700    1.56808100
 H                  4.17502900   -1.78351000    0.44189600
 C                  2.86141200   -0.17175800   -0.24400600
 H                  3.04542704   -0.33784701   -1.32020062
 C                  3.52046100    1.57191259    1.55409781
 H                  4.25716180    2.34636679    1.82062733
 H                  3.44707121    0.84514767    2.37033074
 H                  2.55004024    2.07629260    1.44392012
 C                  4.29576933    1.91623106   -0.83784108
 H                  5.19629350    2.44967469   -0.52073583
 H                  3.50575247    2.65039116   -0.98823719
 H                  4.50058081    1.42027851   -1.80051502
 P                 -3.77911000    0.44863700    0.11369700
 C                 -4.06149900    1.46255100    1.62438100
 H                 -5.07743500    1.88110900    1.62988100
 H                 -3.33619300    2.28164100    1.64906200
 H                 -3.92483100    0.84319700    2.51244600
 C                 -4.22668900    1.59039600   -1.25919100
 H                 -5.22791700    1.99423700   -1.12221600
 H                 -4.18057800    1.04042600   -2.20943100
 H                 -3.50377300    2.40951400   -1.29513700
 C                 -5.14967200   -0.78752700    0.14634200
 H                 -5.00788100   -1.45766100    0.99746800
 H                 -5.11792000   -1.38007200   -0.77290200
 H                 -6.11456900   -0.28735800    0.22967500
 Au                -1.58067400   -0.35424700   -0.04324100
 C                  0.52506500   -4.55630800   -1.03209700
 H                 -0.14771900   -5.31230600   -1.42602100
 C                  2.69993400   -3.89153700   -0.23508900
 H                  3.73319900   -4.13377100    0.00513100
 C                  0.85663960    1.56711834   -0.13648148
 C                  0.89375494    2.33348241   -1.32512302
 C                  0.25451623    2.13626168    1.00177671
 C                  0.34602541    3.61588439   -1.36863843
 H                  1.34167726    1.89877994   -2.22182284
 C                 -0.29592307    3.41939547    0.96194722
 H                  0.17545408    1.55011219    1.91541957
 C                 -0.24394699    4.16786803   -0.21585827
 H                  0.37937922    4.19036640   -2.29282204
 H                 -0.76065201    3.83790933    1.85549278
 H                 -0.66716394    5.17706265   -0.25295265
 C                  3.87117972    0.90688251    0.22970780
 O                  5.12670451    0.03842910    0.50774531
 C                  6.00116310    0.29176389    1.65015033
 H                  6.28714942    1.33876494    1.69027692
 H                  5.46751181   -0.01557728    2.54608296
 H                  6.87309565   -0.34293414    1.49699066
 H                  5.68824911   -0.10322316   -0.38242680
 O                  6.38480349   -0.40272092   -1.61205251
 C                  6.72973039   -1.80439729   -1.78595510
 H                  7.17892731    0.14715503   -1.75217014
 H                  7.44871200   -2.13400464   -1.03269233
 H                  5.78956965   -2.35918869   -1.67318706
 H                  7.13148615   -1.96093546   -2.78328101

C H P O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD






