%nprocshared=8
%mem=22GB
#p opt freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Opt freq

1 1
 C                 -0.00258864   -0.80644292    2.23241584
 C                  1.14959543   -0.07693294    2.50702732
 N                 -1.09112404    0.06602037    2.24146011
 H                 -0.12021853   -1.87231335    2.14332864
 O                  0.63408963    1.31245065    2.67953476
 O                  2.35644024   -0.27200338    2.63000992
 C                 -2.47713707   -0.32668476    1.99426965
 H                 -2.55384424   -0.76204333    0.99607489
 H                 -2.77995175   -1.06258888    2.74163584
 H                 -3.11628546    0.55382873    2.06308562
 C                 -0.67455206    1.28413335    2.50527604
 H                 -1.28562631    2.17101118    2.57891265
 P                  0.02998433    0.18589706   -2.35502050
 Au                 0.05927265   -0.25651126   -0.05180360
 C                 -1.53698235    0.94591685   -2.93748636
 H                 -1.69497876    1.89649889   -2.42049323
 H                 -1.49579186    1.11979825   -4.01774967
 H                 -2.37216207    0.27795103   -2.70831952
 C                  0.24520806   -1.29520505   -3.41862688
 H                 -0.55270241   -2.01336987   -3.20968077
 H                  0.21002075   -1.00852113   -4.47485114
 H                  1.20855355   -1.76470617   -3.20094917
 C                  1.34547553    1.34369780   -2.90202788
 H                  2.32450402    0.91604288   -2.66785242
 H                  1.27384417    1.52005383   -3.98016987
 H                  1.24023008    2.29348463   -2.37005627

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

Au 0
SDD



