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

opt freq

1 1
 C                  0.22482108    0.39206221    0.80036193
 C                 -0.83897078    1.43071883    1.11873607
 C                 -1.53606833    3.65567677    0.72664030
 H                 -1.12579898    4.28154024   -0.09044257
 H                 -1.91914143    4.33501276    1.51471893
 C                 -0.50335952    2.74657077    1.29284298
 H                  0.45393953    3.11147086    1.69927397
 C                  1.17901956    0.39398535   -0.18805888
 C                 -2.26455216    1.32652273    0.64753744
 H                 -2.88579724    0.98748675    1.48591933
 H                 -2.38278256    0.61528317   -0.17623318
 H                  1.00121354    0.38695436    1.59243269
 H                  0.87380361    0.17612644   -1.16656546
 C                  2.62614546    0.72412266   -0.27123773
 C                  3.26331632    1.42312078    0.76007351
 C                  3.39417692    0.42577012   -1.42727115
 C                  4.58669284    1.84482077    0.66433766
 H                  2.68983610    1.69687210    1.64624908
 C                  4.71794418    0.82829967   -1.53597267
 H                  2.94222986   -0.10197780   -2.26525278
 C                  5.32539229    1.55745234   -0.49374910
 H                  5.01817058    2.41292718    1.47822742
 H                  5.29922376    0.61254084   -2.42783574
 O                  6.61055293    1.93047998   -0.68956408
 C                  7.27774084    2.65824207    0.34402093
 H                  8.28941682    2.83173212   -0.02249498
 H                  6.78347161    3.61787916    0.53767451
 H                  7.32089491    2.07227085    1.27444846
 Au                -0.30949784   -1.63600009    0.37302536
 P                 -0.79821368   -3.83781268   -0.25383836
 C                  0.67772558   -4.91022055   -0.49778527
 C                 -1.85765360   -4.77109280    0.91867498
 C                 -1.69160415   -3.93020344   -1.85946404
 H                  1.23337255   -4.97652367    0.44194098
 H                  0.37104693   -5.90848755   -0.81234826
 H                  1.32463806   -4.46553189   -1.25942052
 H                 -1.35406619   -4.83490458    1.89150743
 H                 -2.05499785   -5.78167642    0.54686513
 H                 -2.80699179   -4.24212087    1.05585967
 H                 -1.88958223   -4.97233953   -2.13016263
 H                 -2.64387032   -3.39241761   -1.77805655
 H                 -1.08941661   -3.46149921   -2.63506127
 N                 -2.53436000    2.70610342    0.24245628
 S                 -3.97625446    3.17584709   -0.41861349
 O                 -4.94952654    2.11934363   -0.10352189
 O                 -4.19446713    4.56589968    0.00047168
 C                 -3.67127105    3.15174036   -2.18980002
 H                 -3.38709081    2.13983976   -2.47544444
 H                 -4.59750003    3.45194488   -2.68768402
 H                 -2.86954316    3.85119924   -2.41732848

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

Au 0
SDD



