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

Opt freq

1 1
 P                 -0.09929427   -0.22862401   -2.77217417
 Au                 0.06900308    0.16026878   -0.47836930
 C                 -1.66352031    0.40041930   -3.49781292
 H                 -1.73219821    1.48047180   -3.32232996
 H                 -1.67849321    0.19942210   -4.57728854
 H                 -2.51464358   -0.09797793   -3.01922859
 C                 -0.01386201   -1.98325652   -3.30226950
 H                 -0.84029587   -2.54332316   -2.85696019
 H                 -0.08086506   -2.04017825   -4.39414147
 H                  0.92837005   -2.42677337   -2.96946728
 C                  1.21572477    0.62187421   -3.73185234
 H                  2.20352629    0.27887065   -3.40765671
 H                  1.09045175    0.41927977   -4.80138942
 H                  1.14452057    1.70010183   -3.55700232
 C                  0.28264856    0.70876682    1.61370842
 C                  1.42037468   -0.05106153    2.33066193
 H                  2.37825754    0.47021202    2.24922237
 C                 -1.01332275    0.50166477    2.23467823
 H                  0.46870790    1.78202105    1.46976787
 H                 -1.90694548    0.87581948    1.74014804
 N                 -0.13478668   -0.31812147    4.16699577
 C                 -0.51300986   -0.50620977    5.57599525
 H                 -0.96563978    0.42424585    5.92656865
 H                 -1.24658449   -1.31247150    5.62152381
 H                  0.37067224   -0.75181770    6.16336626
 C                  1.09243890   -0.25538134    3.76939019
 H                  1.86141753   -0.36011689    4.52882065
 H                  1.58057258   -1.04780555    1.89949455
 N                 -1.27485507   -0.09655706    3.36519619

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

Au
SDD



