%nprocshared=20
%mem=41GB
#p opt=maxstep=17 freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 Au                 0.45672582   -0.13619555    0.21199118
 C                  1.75153872    0.10281941   -1.61690061
 C                  0.85902370   -0.61831471   -2.06002231
 C                 -1.86415518    0.29368856   -3.13999260
 H                 -1.13278532    0.68540733   -3.85485864
 H                 -2.83772958    0.32108449   -3.63918909
 C                 -1.91885545    1.15453382   -1.90541826
 H                 -2.67873205    0.88770137   -1.16959803
 C                 -1.15610541    2.22993610   -1.68386417
 C                 -0.01261722   -1.52749880   -2.81428946
 H                  0.11994446   -2.54296722   -2.43194881
 H                  0.38449036   -1.51290125   -3.83744548
 C                 -1.53557665   -1.20808851   -2.88280420
 P                 -0.47481855   -0.04467648    2.33166721
 C                 -2.27824884   -0.35417313    2.26143580
 C                  0.19714621   -1.29245578    3.49251176
 H                 -0.39971629    2.49941588   -2.42246672
 C                 -0.27377469    1.57003886    3.17530420
 H                 -0.72777593    2.35923173    2.57014038
 H                 -0.75591942    1.53792720    4.15767421
 H                  0.79072805    1.78645524    3.29970397
 H                 -2.75427062    0.43958392    1.67905507
 H                 -2.70102028   -0.37557086    3.27097420
 H                 -2.44878439   -1.30890108    1.75880205
 H                  0.03926056   -2.29316983    3.08127124
 H                 -0.30691643   -1.21050537    4.46094242
 H                  1.27022963   -1.12846400    3.62366519
 H                 -1.20988197    2.85294387   -0.81560763
 H                 -2.03309549   -1.55468491   -2.00118867
 H                 -1.90690762   -1.79157920   -3.69923051
 C                  2.98474777    1.00539542   -1.42676390
 H                  2.87146391    1.58010208   -0.53134275
 H                  3.86284591    0.39851151   -1.35236240
 H                  3.07677320    1.66468693   -2.26447866

C H P O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




