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

Opt freq

1 1
 P                  0.06610606   -0.08852207   -3.37677196
 Au                -0.10071795    0.09962825   -1.03173566
 C                 -1.42145456    0.48324062   -4.29303944
 H                 -1.61428096    1.53332670   -4.05519577
 H                 -1.27017946    0.37678243   -5.37240316
 H                 -2.28837829   -0.10960857   -3.98741630
 C                  0.33439133   -1.80268380   -3.98427419
 H                 -0.49734335   -2.43692837   -3.66430139
 H                  0.40108152   -1.81513454   -5.07720211
 H                  1.26096469   -2.19933023   -3.55915124
 C                  1.44559445    0.87079846   -4.12312321
 H                  2.39639696    0.52781416   -3.70494487
 H                  1.45817456    0.73906552   -5.21013482
 H                  1.32181861    1.93172324   -3.88738952
 C                 -0.25901478    0.28494089    1.02802344
 C                 -0.13849461   -1.00525438    1.81836654
 H                  0.68593204   -1.61239860    1.42929864
 C                 -0.49541810    1.47062762    1.61416955
 H                 -0.60987037    2.38260744    1.03387087
 H                 -0.61302049    1.61819000    2.68975983
 N                  1.20221234   -0.12779978    3.81209704
 C                  2.54226019   -0.22402188    3.23101483
 H                  2.48694420    0.10021155    2.18952230
 H                  3.22070209    0.42104960    3.78918096
 H                  2.87583523   -1.26149130    3.28837140
 C                  0.06212585   -0.94436083    3.35305013
 H                  0.22069617   -1.96850089    3.71529952
 C                 -1.07327294   -0.35945581    4.16663981
 O                 -2.23401480   -0.58203208    4.20998379
 O                 -0.46143636    0.62394389    5.05215188
 H                 -1.03817491   -1.61625514    1.66985118
 N                  0.81937873    0.68034216    4.74642164

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

Au
SDD



