%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

1 1
 C                  2.21377686   -2.04157469    0.27238508
 C                  0.89096142   -1.71245553   -0.10064174
 C                  0.01524728   -2.76074917   -0.43818751
 C                  1.74242405   -4.40176974   -0.02313837
 H                 -1.00244330   -2.52280516   -0.73677745
 H                  2.07299057   -5.43597364    0.01042938
 C                  0.47206638   -0.29410827   -0.13258907
 C                  1.37189754    0.70303757   -0.23385933
 C                  3.13980084   -0.91454375    0.63155133
 H                  2.93023577   -0.56768258    1.65130414
 H                  4.18504324   -1.23854225    0.59784389
 C                  2.91696292    0.24872228   -0.36419391
 H                  3.03741124   -0.10488220   -1.39665601
 C                  3.76298104    1.40130210   -0.13671563
 C                  3.73627224    1.96586774    1.28463177
 H                  4.11551349    2.98798599    1.32870430
 H                  4.54640025    1.28829619    1.60638528
 H                  2.92339559    1.81942024    2.00180334
 C                  3.29703922    2.38819124   -1.25267121
 H                  4.38468931    2.19416979   -1.27156083
 H                  3.19938665    3.46770871   -1.08900873
 H                  2.87596334    2.09461542   -2.21511696
 P                 -3.88334280    0.58434633    0.12729535
 C                 -4.39715934    1.43928524    1.67035382
 H                 -5.47963694    1.60468127    1.67176060
 H                 -3.88213202    2.40163011    1.74191902
 H                 -4.12127408    0.82877180    2.53484214
 C                 -4.53768389    1.64950332   -1.21954999
 H                 -5.61163725    1.81731598   -1.08663594
 H                 -4.36135026    1.16632817   -2.18484395
 H                 -4.01638623    2.61106444   -1.20880142
 C                 -4.93256552   -0.92274074    0.06857710
 H                 -4.66714845   -1.58410733    0.89834472
 H                 -4.75603605   -1.45205380   -0.87218263
 H                 -5.99156224   -0.65416562    0.14170315
 Au                -1.58089658    0.14848052   -0.02139721
 C                  0.43393294   -4.08999324   -0.40324595
 H                 -0.25976166   -4.88160726   -0.67249930
 C                  2.62819271   -3.37425818    0.30772746
 H                  3.64924804   -3.60877366    0.59894408
 C                  1.08910591    2.17967994   -0.32698596
 H                  0.01169739    2.36609453   -0.31553317
 H                  1.52836737    2.74290671    0.50728142
 H                  1.49285160    2.60324849   -1.25689188
 O                  5.15322279    0.66836228    0.01268578
 H                  5.55832717   -0.07021522   -0.44774198
 C                  6.19079517    1.64175528    0.15707977
 H                  5.80604968    2.50021548    0.66690031
 H                  6.99681931    1.22269740    0.72242532
 H                  6.54588156    1.93069566   -0.81004334

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

Au 0
SDD






