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

opt freq WITH CALCFC

1 1
 C                  1.37264979   -1.40579731    0.18993710
 C                 -0.07867367   -2.77833137    0.48961440
 C                 -1.49096402   -3.72727342   -1.15479157
 H                 -1.64437847   -4.76030235   -1.48702927
 H                 -1.68347469   -3.08865680   -2.03056756
 C                 -0.09165012   -3.48064091   -0.66531863
 H                  0.78686071   -3.82199512   -1.20224170
 C                  1.12689911   -2.34002696    1.25164743
 C                 -1.48381950   -2.40722273    0.92617322
 H                 -1.67535444   -1.34452812    0.72662655
 H                 -1.62524237   -2.56111467    2.00181342
 C                 -2.37467920   -3.33216458    0.05805860
 H                  0.83612435   -1.90199753    2.20725968
 Au                 0.46114717    0.43079886    0.05436082
 P                 -0.54644709    2.55655102   -0.09186762
 C                  0.59475447    3.88392842   -0.78515253
 C                 -2.01301011    2.59318446   -1.19677337
 C                 -1.19255071    3.18645258    1.56043604
 H                  0.94630317    3.60568911   -1.78276909
 H                  0.05732638    4.83612284   -0.84087534
 H                  1.45964034    3.99252898   -0.12458034
 H                 -1.71583611    2.30570642   -2.20919420
 H                 -2.44435306    3.59942170   -1.21460372
 H                 -2.76200162    1.88324677   -0.83467735
 H                 -1.65867853    4.16707672    1.42076976
 H                 -1.92644018    2.49026154    1.97644832
 H                 -0.35714946    3.27653006    2.26041665
 H                  1.87512476   -3.12796101    1.38291315
 H                 -2.62926757   -4.23118764    0.62859894
 H                 -3.31060267   -2.85371870   -0.24130974
 C                  2.45090715   -1.76383568   -0.77239111
 H                  2.25464515   -1.42508813   -1.79274927
 H                  3.31303360   -1.17350478   -0.41189200
 H                  2.75062139   -2.81753991   -0.75748517

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

Au 0
SDD

