%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=17) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
 C                  3.03870455    0.35177702    0.93247931
 C                  2.26658622   -0.82180514    1.12762302
 C                  2.89055162   -2.06721863    1.34048044
 C                  5.04812357   -1.00789145    1.19853220
 H                  2.27370814   -2.94957740    1.48010487
 H                  6.13216911   -1.06796244    1.22788385
 C                  0.83322557   -0.78036892    1.14167515
 C                 -0.39390102   -0.81632223    1.28940102
 C                  2.39896338    1.70511968    0.67889289
 H                  1.80310030    1.65132508   -0.23960507
 H                  3.20344452    2.42589553    0.47920780
 C                  1.55655164    2.19200593    1.83641656
 H                  2.03227048    2.08540914    2.81179561
 C                  0.32595139    2.72459883    1.78991658
 C                 -0.46955608    2.95742805    0.52876446
 H                 -1.38673338    2.35074512    0.53427349
 H                 -0.78917862    4.00624203    0.46574732
 H                  0.07879233    2.72080117   -0.38568966
 C                 -0.38477332    3.13995615    3.05643823
 H                 -0.63720898    4.20906445    3.03531661
 H                 -1.33524541    2.59781204    3.16168625
 H                  0.21751104    2.94728722    3.94986779
 P                 -0.62894023    0.16121483   -3.14407574
 C                 -2.13551451   -0.63230730   -3.81981290
 H                 -2.29447615   -0.30903451   -4.85365311
 H                 -2.01898512   -1.71900668   -3.79029766
 H                 -3.00017787   -0.35076779   -3.21293407
 C                  0.73413551   -0.31884278   -4.27052682
 H                  0.48804584   -0.03107182   -5.29782276
 H                  1.65515395    0.18310932   -3.96214477
 H                  0.88488329   -1.40036410   -4.21933834
 C                 -0.86202248    1.96154428   -3.39222117
 H                 -1.70796412    2.30578117   -2.79112905
 H                  0.03865858    2.49251091   -3.07162177
 H                 -1.05354149    2.17149690   -4.44940280
 Au                -0.22542310   -0.37287593   -0.92940949
 C                  4.27815099   -2.15940633    1.37961432
 H                  4.75360123   -3.12020603    1.55002899
 C                  4.42995324    0.22553313    0.97786705
 H                  5.04184974    1.11244110    0.83746089
 C                 -1.80206937   -0.83799180    1.91245185
 C                 -2.92413186   -0.63952828    1.10743047
 C                 -1.95576851   -1.05613018    3.28151736
 C                 -4.19952826   -0.65854349    1.67154409
 H                 -2.80257758   -0.46681199    0.02824771
 C                 -3.23154185   -1.07616201    3.84579655
 H                 -1.07152657   -1.21274564    3.91611709
 C                 -4.35335358   -0.87728198    3.04110891
 H                 -5.08396085   -0.50149578    1.03718494
 H                 -3.35244432   -1.24858637    4.92520688
 H                 -5.35906110   -0.89228986    3.48565753

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

Au 0
SDD










