%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

0 1
 C                 -1.55789854   -1.38742445   -0.49092610
 C                 -0.90844281   -0.22409474   -0.24187193
 C                 -1.69419292    1.03875145   -0.14497172
 C                 -2.99479752    1.12034284   -0.69618802
 C                 -1.18278165    2.17794877    0.50293866
 H                 -0.19093971    2.12795735    0.94564321
 C                 -3.19507391    3.43001713    0.03263086
 H                 -3.77664266    4.34555661    0.09648910
 C                 -3.56867643   -0.10489316   -1.36342268
 H                 -3.22832392   -0.14089272   -2.40783699
 H                 -4.66234840   -0.06803902   -1.39066740
 C                 -3.08956671   -1.40888109   -0.70499476
 H                 -3.32008392   -2.24089127   -1.38131073
 C                 -3.68056553   -1.75476722    0.64364251
 C                 -4.00395791   -3.05107955    0.93381294
 H                 -4.17287747   -3.35035977    1.97301269
 H                 -3.72735993   -3.84977026    0.24399862
 C                 -3.92966601   -0.67438627    1.65345259
 H                 -4.29397147   -1.08839580    2.59884054
 H                 -4.66715513    0.04028096    1.26960276
 H                 -3.01622822   -0.10282997    1.83942056
 Au                 1.16982224   -0.11873724   -0.07085720
 P                  3.51227738    0.05110480    0.11078105
 C                  4.07400997    1.17629900    1.45223675
 H                  3.67776243    2.17997329    1.27257591
 H                  5.16758485    1.21833140    1.48754767
 H                  3.69293671    0.81717066    2.41268460
 C                  4.34843056    0.69966964   -1.39289093
 H                  4.14764931    0.03355609   -2.23702185
 H                  5.42977717    0.76987651   -1.23434885
 H                  3.95085325    1.69117518   -1.62833206
 C                  4.38005903   -1.53152845    0.46101025
 H                  3.99940139   -1.95547326    1.39478054
 H                  5.45927212   -1.36805370    0.55000763
 H                  4.18624328   -2.24056822   -0.34915704
 C                 -1.92161578    3.35883080    0.59886371
 H                 -1.50064900    4.21931999    1.11193402
 C                 -3.72362154    2.30617619   -0.61056138
 H                 -4.72159608    2.34826426   -1.04210088
 C                 -0.90409871   -2.74648240   -0.58860872
 H                  0.17432861   -2.68158877   -0.41861712
 H                 -1.32277165   -3.44814197    0.14483363
 H                 -1.07024096   -3.18977843   -1.58088740

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

Au 0
SDD







