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

opt freq

1 1
 Au                 0.07505212   -0.57268849   -0.12540114
 C                  0.79265529    2.36532944    0.40020596
 C                  0.16121938    1.41662704   -0.44246718
 C                  0.81717492    3.77176360   -0.36288751
 H                  1.72852565    4.36439232   -0.23521234
 C                 -0.11876032    3.63881108    0.74955566
 C                 -0.42212329    2.10555398   -1.64704101
 H                 -1.52804418    2.12222923   -1.53010040
 H                 -0.25648395    1.49218673   -2.55096574
 C                  0.24050159    3.50776818   -1.75098670
 P                 -0.05839174   -2.90062248    0.21149717
 C                 -1.70851519   -3.60341421   -0.20243253
 C                  1.13613173   -3.84550475   -0.82402512
 H                  1.49552866    2.08826466    1.18897359
 C                  0.27380923   -3.44489163    1.93751280
 H                 -0.46339261   -2.98412211    2.61482571
 H                  0.20304560   -4.54387623    2.00756467
 H                  1.28396184   -3.11976504    2.23501698
 H                 -2.47700750   -3.13184604    0.43130325
 H                 -1.70858732   -4.69367171   -0.03336144
 H                 -1.93908975   -3.39290936   -1.25934013
 H                  0.95015590   -3.62622180   -1.88797714
 H                  1.02094298   -4.92810518   -0.64322007
 H                  2.16293329   -3.53614571   -0.56974115
 H                  1.04824557    3.48883783   -2.50109288
 H                 -0.47608603    4.29476927   -2.04234050
 C                  0.25638846    4.19787157    2.13458806
 H                  0.04195618    5.24568515    2.16629781
 H                 -0.31221813    3.69447706    2.88836555
 H                  1.30008262    4.04189046    2.31142814
 C                 -1.62779102    3.48067204    0.48608192
 H                 -2.00377450    2.65354994    1.05124159
 H                 -2.13685069    4.37460310    0.78043802
 H                 -1.79122977    3.30398731   -0.55649675

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

Au 0
SDD






