%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                  0.66872257   -1.87088244    1.40032353
 H                  1.76729060   -1.77572270    1.50351838
 H                  0.48323846   -2.83284624    0.88946145
 C                  0.17250252   -0.69296356    0.61736017
 C                 -0.21688919    0.53005463    0.64461905
 H                 -0.45396996    1.62741798    0.63816364
 C                 -2.06856553   -0.73773589    2.80883944
 H                 -2.50490172    0.33248172    3.00001018
 H                 -2.63491692   -1.29730814    2.25603258
 C                 -0.79282984   -0.89434585    3.20979422
 C                 -0.19833460   -2.13656658    2.69930823
 H                  0.41764133   -2.65937930    3.44436062
 H                 -1.02059560   -2.80748841    2.39567205
 Au                -0.03695121    0.20318364   -1.56236182
 P                  0.16548817    0.10194423   -3.89279895
 C                 -1.35208283   -0.47922016   -4.76093551
 C                  0.56056514    1.71946589   -4.68111766
 C                  1.49430484   -1.03429776   -4.47534290
 H                  1.28378819   -2.05519306   -4.11670465
 H                  1.54364679   -1.03338998   -5.57797689
 H                  2.46180464   -0.70530198   -4.06229654
 H                 -1.61044528   -1.48996196   -4.40536264
 H                 -1.18156530   -0.50241700   -5.85105924
 H                 -2.18750467    0.20238194   -4.53218222
 H                 -0.23380306    2.44564238   -4.44343699
 H                  0.63805518    1.60183355   -5.77559107
 H                  1.51657757    2.09519253   -4.28131630
 C                 -0.25381223   -0.14761025    4.35746935
 C                  0.65619621   -0.76859948    5.26713069
 C                 -0.62024889    1.21292050    4.59106031
 C                  1.19239019   -0.05303965    6.33758304
 H                  0.96427577   -1.80622057    5.11365299
 C                 -0.09321193    1.91632238    5.67459057
 H                 -1.34429320    1.70558316    3.93674958
 C                  0.81722518    1.28877395    6.54705469
 H                  1.90130191   -0.53716029    7.01600663
 H                 -0.39364780    2.95400250    5.84816948
 H                  1.22925647    1.84352896    7.39627409

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

Au 0
SDD



