%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=17) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
 C                  2.81489007   -1.62789110    0.30238826
 C                  1.47190220   -1.44384503   -0.09680834
 C                  0.72524757   -2.57913913   -0.46193016
 C                  2.61394602   -4.02297899   -0.01867313
 H                 -0.30558165   -2.45210204   -0.78242370
 H                  3.05604250   -5.01463404    0.01544533
 C                  0.89879317   -0.08029715   -0.12508626
 C                  1.68372304    1.01135045   -0.20341882
 C                  3.60293793   -0.40797666    0.68624485
 H                  3.33610676   -0.09357221    1.70311820
 H                  4.67823208   -0.61445885    0.67148146
 C                  3.27173538    0.73030046   -0.30768662
 H                  3.44826353    0.39899698   -1.33968533
 C                  3.98020580    1.96800766   -0.05998820
 C                  4.29025186    2.41086856    1.31611344
 H                  4.56367163    3.46564247    1.37000058
 H                  5.15686346    1.81645107    1.65271620
 H                  3.48295895    2.18051067    2.01730274
 C                  4.44815515    2.80012979   -1.18356146
 H                  5.55102155    2.72807041   -1.18929709
 H                  4.22953637    3.86056247   -1.01255792
 H                  4.07377788    2.47111510   -2.15385197
 P                 -3.52958485    0.29357478    0.10630886
 C                 -4.14442528    1.12061353    1.62748851
 H                 -5.23886376    1.15303501    1.62761904
 H                 -3.75051900    2.13997101    1.67202544
 H                 -3.79672364    0.57167407    2.50705128
 C                 -4.30226744    1.23947049   -1.26642433
 H                 -5.38905857    1.28020804   -1.13819132
 H                 -4.06577988    0.75801621   -2.21969585
 H                 -3.90022549    2.25665769   -1.27851116
 C                 -4.39324827   -1.32785077    0.08706493
 H                 -4.05259633   -1.93222401    0.93263438
 H                 -4.15433966   -1.85598513   -0.84053787
 H                 -5.47661846   -1.18424089    0.15539164
 Au                -1.19158367    0.12732700   -0.03058727
 C                  1.28784126   -3.85420694   -0.42689640
 H                  0.69244005   -4.71510178   -0.71796129
 C                  3.37325684   -2.90696503    0.33879876
 H                  4.40741913   -3.03006582    0.65131417
 C                  1.23978596    2.44795636   -0.29384989
 H                  0.14804925    2.51256962   -0.29294397
 H                  1.60552014    3.05308757    0.54671601
 H                  1.60289838    2.91808254   -1.21804852

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

Au 0
SDD





