%nprocshared=20
%mem=41GB
#p opt freq=noraman bp86 genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 C                 -0.08217340   -1.68420796    1.30315955
 H                  0.93043810   -1.89967972    1.03280817
 H                 -0.85135304   -2.40069038    1.10337062
 C                 -0.39383378   -0.50696341    1.89774353
 C                 -0.70549415    0.67028115    2.49232752
 C                 -0.67922666    0.78506637    4.02781909
 H                 -0.95051531    1.77921785    4.31585606
 H                 -1.37430391    0.08935726    4.44943081
 C                  0.73788529    0.47031765    4.54194647
 H                  1.57822940    0.57751865    3.88831834
 C                  0.92426571    0.05803022    5.81938471
 Au                -0.13613143   -0.15443645   -0.29365968
 P                  0.20779064    0.25011631   -2.54005177
 C                 -1.19547140    1.14478200   -3.31876860
 C                  1.69938670    1.26754935   -2.87741432
 C                  0.41823565   -1.29852300   -3.50513301
 H                 -0.47524904   -1.93053903   -3.37789627
 H                  0.55411321   -1.05669652   -4.57284218
 H                  1.30065290   -1.84366248   -3.13327713
 H                 -2.09490670    0.50909826   -3.28736721
 H                 -0.94924129    1.38261120   -4.36790113
 H                 -1.39069685    2.07596866   -2.76285923
 H                  1.59232981    2.24592108   -2.38187874
 H                  1.81395094    1.41372672   -3.96539608
 H                  2.58889299    0.75650425   -2.47547845
 C                  2.05372351   -0.93280451    6.15727761
 H                  2.25308996   -0.90155110    7.20807551
 H                  1.75497335   -1.92218657    5.88020094
 H                  2.93786007   -0.66311267    5.61832598
 C                  0.00344334    0.58215542    6.93696197
 H                 -0.18958621    1.62301707    6.78124874
 H                 -0.91998784    0.04185990    6.92097433
 H                  0.48011220    0.44575402    7.88516103
 C                 -1.08583101    1.89366780    1.63776975
 C                 -2.42858187    2.22051985    1.44630355
 C                 -0.08797140    2.67502893    1.05527589
 C                 -2.77331957    3.32810680    0.67194652
 H                 -3.21505605    1.60386024    1.90503120
 C                 -0.43262244    3.78356193    0.28146703
 H                  0.97037988    2.41766555    1.20622517
 C                 -1.77504145    4.11011966    0.08961224
 H                 -3.83168393    3.58543123    0.52046868
 H                  0.35437113    4.39968713   -0.17734130
 H                 -2.04709540    4.98339902   -0.52085163

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

Au 0
SDD





