%nprocshared=24
%mem=41GB
#p opt=calcfc freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Opt calcfc freq

1 1
 P                 -0.51661575    0.29530350   -3.66774014
 Au                 0.17580738   -0.35821228   -1.52862399
 C                 -1.23551533    1.98216356   -3.71766263
 H                 -0.49440751    2.70532064   -3.36602024
 H                 -1.53292724    2.23169202   -4.74132130
 H                 -2.11023762    2.02572274   -3.06281129
 C                 -1.79734490   -0.79493622   -4.39896583
 H                 -2.68471549   -0.79927524   -3.76001801
 H                 -2.06754873   -0.43613325   -5.39751945
 H                 -1.40933152   -1.81465178   -4.47041757
 C                  0.84377772    0.31858952   -4.89769416
 H                  1.26582580   -0.68562470   -4.99388830
 H                  0.46195519    0.64883313   -5.86933341
 H                  1.62968613    1.00157364   -4.56380428
 C                  1.05092642   -0.95069763    0.34977727
 C                 -0.16214807   -0.90894863    1.00463217
 H                 -0.86307891   -1.71362478    0.79380701
 C                  2.33486412   -1.21743101    0.53542186
 H                  2.66689919   -1.52684781    1.52579219
 H                 -0.62066364    0.06140434    1.17011139
 C                 -1.43561215   -1.74743256    4.38291660
 C                 -0.92286714   -2.92094588    4.00933648
 C                  0.12001627   -2.63077515    2.97828603
 N                 -0.74110205   -0.72366167    3.65303418
 H                 -2.19853153   -1.46475879    5.09457999
 H                 -1.19429263   -3.90750053    4.35521416
 N                  0.19390751   -1.25254453    2.80611421
 O                  0.79724314   -3.44211745    2.35311682
 C                 -0.98343736    0.55938083    3.82819171
 H                 -1.80709812    0.75758720    4.50615534
 C                 -0.31118697    1.68674651    3.23919972
 C                  0.90465219    1.61407940    2.51616241
 C                 -0.91907124    2.95063202    3.43601074
 C                  1.47293777    2.77291860    2.00005479
 H                  1.38591832    0.65638106    2.37444206
 C                 -0.34674406    4.09958526    2.90478137
 H                 -1.84505151    3.01855790    4.00023613
 C                  0.84982341    4.01327929    2.18371854
 H                  2.40794155    2.70927487    1.45180898
 H                 -0.82658923    5.06158369    3.05427198
 H                  1.29932012    4.91173927    1.77126220
 H                  3.07137329   -1.15890051   -0.25912613

-C -H -N -P -O 0
6-31G(d)
****
Au 0
SDD
****

Au
SDD



