%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                  1.96530942   -2.55767362    0.27791561
 C                  0.68834003   -2.14541787   -0.16281537
 C                 -0.19818326   -3.13527865   -0.62639474
 C                  1.42383789   -4.87606012   -0.18980086
 H                 -1.18311798   -2.83699605   -0.97795138
 H                  1.71024950   -5.92419866   -0.19770617
 C                  0.32002988   -0.70756467   -0.11145675
 C                  1.30432092    0.23523036   -0.11297946
 C                  2.90308982   -1.48152627    0.75210156
 H                  2.62632512   -1.17404025    1.77136707
 H                  3.92916815   -1.85531411    0.78873307
 C                  2.77574131   -0.25920021   -0.18108075
 H                  2.93530896   -0.61275769   -1.21570785
 C                  3.88663424    0.77860365    0.07103005
 C                  4.06053287    1.22317935    1.50844984
 H                  4.83894809    1.98370753    1.60842745
 H                  4.27997130    0.38301651    2.17034294
 H                  3.11710798    1.66492531    1.83929161
 C                  4.01034640    1.89959163   -0.94641929
 H                  5.00649709    2.34879583   -0.91430797
 H                  3.30345640    2.69403438   -0.70843244
 H                  3.80419909    1.54825636   -1.96174832
 P                 -4.01175174    0.25573895    0.17153627
 C                 -4.47987539    1.22700789    1.66147432
 H                 -5.55882597    1.41359384    1.67595703
 H                 -3.94633986    2.18194346    1.65728716
 H                 -4.19550213    0.67243805    2.56044497
 C                 -4.68871287    1.23758419   -1.22876327
 H                 -5.75800687    1.42622299   -1.08626571
 H                 -4.53827393    0.68948013   -2.16341879
 H                 -4.15728822    2.19154775   -1.29406748
 C                 -5.10343264   -1.22198038    0.24650329
 H                 -4.83729487   -1.82668831    1.11832294
 H                 -4.96084390   -1.82622093   -0.65412610
 H                 -6.15382804   -0.92064445    0.31937179
 Au                -1.71380400   -0.23557131    0.00211764
 C                  0.16376857   -4.48292054   -0.64737798
 H                 -0.53946720   -5.22499232   -1.01632787
 C                  2.31981644   -3.90727752    0.27091564
 H                  3.30681389   -4.20201255    0.62151223
 O                  5.20520513   -0.13770696   -0.21912162
 H                  5.19433923   -0.40458583   -1.16133934
 C                  6.55827594    0.29487153    0.17766369
 H                  6.57485929    0.28630090    1.26356211
 H                  7.23732508   -0.45605437   -0.22309159
 H                  6.77295735    1.28418579   -0.22548434
 C                  0.98059781    1.73976604   -0.16933306
 C                  0.81537479    2.37200886   -1.40198946
 C                  0.85245801    2.47038602    1.01190475
 C                  0.52274627    3.73471049   -1.45331750
 H                  0.91722176    1.79588559   -2.33309147
 C                  0.55876919    3.83330228    0.96075762
 H                  0.98247176    1.97220088    1.98352042
 C                  0.39404056    4.46556101   -0.27157772
 H                  0.39312162    4.23325288   -2.42488810
 H                  0.45738918    4.40902194    1.89228497
 H                  0.16325197    5.53997944   -0.31229637

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

Au 0
SDD









