%nprocshared=24
%mem=41GB
#p opt=(calcfc,maxstep=3) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Opt calcfc freq

1 1
 P                  0.09581755    0.01562310   -3.31503575
 Au                -0.13558883   -0.04036649   -0.96272677
 C                 -0.55895165    1.55173046   -4.07266496
 H                 -0.06223875    2.41817408   -3.62842184
 H                 -0.37333085    1.53919198   -5.15139627
 H                 -1.63441379    1.62167745   -3.88755987
 C                 -0.77361726   -1.35437299   -4.17010103
 H                 -1.84216967   -1.30799114   -3.94497476
 H                 -0.62645293   -1.26097764   -5.25048806
 H                 -0.38003685   -2.31420566   -3.82624242
 C                  1.83956955   -0.08431930   -3.87572388
 H                  2.28990581   -1.01906297   -3.53070072
 H                  1.87974907   -0.03979712   -4.96893879
 H                  2.40560871    0.75394295   -3.46099389
 C                 -0.33871328   -0.08181984    1.07178892
 C                  0.24063062   -1.13634773    1.91791128
 H                  1.20350780   -1.48750635    1.53562221
 C                 -1.05186124    0.97923199    1.81819243
 H                 -0.19053783    1.66426401    2.02996062
 H                 -1.78339320    1.53914955    1.23503684
 N                 -0.90924026   -0.26042591    3.89084060
 C                 -1.28639689   -0.56527651    5.27981076
 H                 -0.50287779   -0.16212291    5.92759552
 H                 -2.24190583   -0.09815351    5.51278645
 H                 -1.35016930   -1.64822206    5.39932880
 C                  0.36710985   -0.77846881    3.40365261
 H                  0.63387621   -1.65407211    3.99117113
 C                  1.54241042    0.32291969    3.54292519
 O                  2.65387543   -0.17508541    3.30695999
 O                  1.16713031    1.48795825    3.78350984
 H                 -0.46024767   -1.98156301    1.74523815
 C                 -1.55256399    0.59272443    3.17176854
 H                 -2.45967944    1.03587096    3.56892627

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

Au
SDD



