%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=7) freq=noraman bp86 genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq WITH CALCFC and short steps

1 1
 Au                -0.35420217   -1.33467604   -0.08373996
 C                 -0.91718870    0.54250954   -0.62070253
 C                 -0.35458023    1.28786423   -1.62083560
 C                  0.21612817    3.09480663   -1.34814887
 C                 -0.94813101    2.66233058   -2.10374360
 H                 -0.90487899    2.72972255   -3.20194741
 C                  1.00898914    1.13562651   -2.29702385
 H                  0.93546383    0.93298356   -3.37976953
 H                  1.61890908    0.35245159   -1.82119401
 C                  1.50877400    2.57884730   -1.96138726
 P                  0.30255178   -3.48859696    0.58424824
 C                 -0.92041395   -4.35347426    1.65547537
 C                  0.59998646   -4.64376340   -0.81951080
 H                 -1.75471950    1.02712285   -0.08925709
 C                  1.87119623   -3.51380021    1.55045956
 H                  1.74832915   -2.90668847    2.46218009
 H                  2.13047250   -4.54964421    1.82898297
 H                  2.68155585   -3.08128165    0.94124690
 H                 -1.08944154   -3.75894579    2.56801804
 H                 -0.54605702   -5.35452459    1.93020217
 H                 -1.87516552   -4.45190476    1.11362346
 H                 -0.32540776   -4.74889521   -1.40881938
 H                  0.91183297   -5.63260435   -0.44191627
 H                  1.38937050   -4.23090337   -1.46860591
 H                 -1.92885431    2.91643209   -1.68521356
 H                  2.33675304    2.58695128   -1.23684006
 H                  1.80278117    3.17879578   -2.84291604
 C                  0.15433846    3.88625456   -0.02853067
 C                 -1.06564771    4.38458308    0.42948010
 C                  1.31796609    4.10481708    0.70886291
 C                 -1.12179154    5.10188075    1.62428287
 H                 -1.98272568    4.21276285   -0.15248862
 C                  1.26181806    4.82146722    1.90455095
 H                  2.27956115    3.71197434    0.34811572
 C                  0.04223646    5.32011337    2.36227330
 H                 -2.08326055    5.49523840    1.98503709
 H                  2.17938389    4.99328584    2.48595058
 H                 -0.00228690    5.88565540    3.30433287

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

Au 0
SDD



