%nprocshared=24
%mem=41GB
#p opt=(calcfc,maxstep=6) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Opt calcfc freq

0 1
 P                  0.26189831    0.05868771   -3.24551729
 Au                -0.34831741   -0.03599781   -0.96210963
 C                 -0.89463276   -0.65169581   -4.48366175
 H                 -1.84136019   -0.10487552   -4.46439401
 H                 -0.44847385   -0.57372461   -5.47904151
 H                 -1.08955945   -1.70364756   -4.25171252
 C                  1.83899203   -0.83505156   -3.54412083
 H                  1.71664044   -1.89002211   -3.28418330
 H                  2.13070912   -0.74856605   -4.59670609
 H                  2.62029730   -0.40690196   -2.91137478
 C                  0.59866806    1.75239081   -3.87124065
 H                  1.31868073    2.24403720   -3.21051662
 H                  1.01135933    1.69277819   -4.88231219
 H                 -0.32213276    2.34013159   -3.88419009
 C                 -0.62462156   -0.11534090    1.09617082
 C                  0.12431756   -1.17628214    1.87215520
 H                  1.09544221   -1.37814403    1.41294917
 C                 -1.41543594    0.73222852    1.82212869
 H                 -2.03817245    1.48799821    1.35507385
 N                 -0.75398539   -0.17039903    3.95149353
 C                 -0.85415595   -0.27670804    5.40699853
 H                  0.09129887    0.07703086    5.82171036
 H                 -1.67997366    0.33742533    5.76903250
 H                 -1.02149996   -1.32231883    5.68302851
 C                  0.42973506   -0.77041430    3.31271444
 H                  0.69914325   -1.64860991    3.90415651
 C                  1.66850685    0.23971967    3.39995470
 O                  1.59465947    1.13128048    4.27598056
 O                  2.58435123   -0.02989121    2.59148407
 C                 -1.54234170    0.58971015    3.24227975
 H                 -2.32362844    1.12141816    3.77904632
 H                 -0.45854787   -2.11015737    1.80840885

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

Au
SDD



