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

opt freq

0 1
 C                 -1.56851312   -1.36240075   -0.50715170
 C                 -0.91417453   -0.20830543   -0.20342213
 C                 -1.69236904    1.05455781   -0.08162620
 C                 -2.96636977    1.17191096   -0.68597919
 C                 -1.18325446    2.17586836    0.59912010
 H                 -0.21153590    2.09876925    1.08099577
 C                 -3.13537586    3.48629854    0.03946395
 H                 -3.69091146    4.41925892    0.07546438
 C                 -3.54816878   -0.04133508   -1.36817577
 H                 -3.20494648   -0.07562491   -2.41219145
 H                 -4.64160133    0.01791750   -1.40228674
 C                 -3.10307436   -1.35345441   -0.70555323
 H                 -3.36396729   -2.18148001   -1.37834244
 C                 -3.72293966   -1.65823937    0.64360082
 C                 -3.78674302   -3.11028712    1.04598494
 H                 -2.81106951   -3.41668289    1.44356937
 H                 -4.01358944   -3.76601811    0.19914799
 H                 -4.52531965   -3.26758511    1.83930429
 C                 -4.20868642   -0.71008177    1.49422430
 H                 -4.49413172   -0.99998056    2.50671177
 H                 -3.98099458    0.34304709    1.34372252
 Au                 1.16279517   -0.11094531   -0.05026030
 P                  3.50842900    0.03844623    0.09937236
 C                  4.12728883    1.66646714    0.68878253
 H                  3.78163633    2.45339131    0.01215780
 H                  5.22180280    1.67201628    0.72371348
 H                  3.73136334    1.86647574    1.68865425
 C                  4.39437209   -0.22350586   -1.49072525
 H                  4.16119738   -1.21933735   -1.87863401
 H                  5.47638545   -0.13367919   -1.34724973
 H                  4.06157969    0.52188075   -2.21886571
 C                  4.27926671   -1.17580502    1.24490559
 H                  3.87753600   -1.03084517    2.25201522
 H                  5.36692991   -1.05046973    1.26539526
 H                  4.03700947   -2.19026594    0.91505868
 C                 -1.89481877    3.37437275    0.67039589
 H                 -1.47638876    4.21969794    1.20998881
 C                 -3.66274213    2.38114921   -0.63538543
 H                 -4.63213072    2.45652484   -1.12411723
 C                 -0.90545390   -2.69851679   -0.73235536
 H                  0.17132199   -2.64368819   -0.54893402
 H                 -1.31871945   -3.48662878   -0.09296251
 H                 -1.05817256   -3.03086706   -1.76896066

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

Au 0
SDD






