%nprocshared=20
%mem=41GB
%chk=exo2cispme3anisyl.chk
#p opt=(maxstep=17,calcfc) freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 C                 -0.63270112    0.59204906   -1.59831011
 C                  0.39664422   -0.19771775   -1.21839943
 C                  2.00311405   -2.05976229   -1.52954984
 H                  3.07315266   -2.06257855   -1.32454606
 H                  1.81867956   -2.89120100   -2.21174502
 C                  1.51416721   -0.74611384   -2.17128361
 H                  1.13191399   -0.88797869   -3.18179651
 C                  2.23980502    0.52665496   -2.07658025
 C                  0.65279856   -0.82672655    0.12923453
 H                 -0.25329898   -0.86150217    0.73359627
 H                  1.40993612   -0.26328510    0.69015464
 C                  1.19087231   -2.24165848   -0.20719437
 O                  1.27372905   -3.17884478    1.95644498
 O                  0.46379824   -4.42304323   -0.75864231
 C                  1.96177806   -3.65340838    3.13651487
 H                  2.58130593   -2.85653413    3.55459048
 H                  1.17549670   -3.93866254    3.83382355
 H                  2.58829685   -4.51225773    2.88526290
 C                 -0.54314381   -5.43510168   -0.97742929
 H                 -1.15114025   -5.56150805   -0.07841828
 H                 -1.18472346   -5.15351270   -1.81612088
 H                  0.00718269   -6.34740067   -1.20359289
 H                 -0.59142438    0.95442660   -2.62906154
 C                  2.04799649   -2.77266708    0.94308707
 C                  0.01247056   -3.20480945   -0.42677847
 O                 -1.16242240   -2.91810512   -0.32650824
 O                  3.26311435   -2.77243335    0.97098903
 H                  1.89948798    1.24675480   -2.81782398
 C                  3.20763024    1.03812484   -1.18153618
 C                  3.54757344    2.41635846   -1.32909572
 C                  3.87953417    0.30303428   -0.15597948
 C                  4.48382195    3.03338233   -0.52632316
 H                  3.05107505    2.99968137   -2.09929683
 C                  4.80941575    0.91250320    0.65212403
 H                  3.67981976   -0.74563925    0.00826644
 C                  5.12669033    2.28152267    0.48226690
 H                  4.71303748    4.08103162   -0.67389401
 H                  5.32266578    0.35889915    1.43079024
 O                  6.04505361    2.76592034    1.32020638
 C                  6.44571843    4.14344022    1.22342951
 H                  7.18962750    4.28265675    2.00689265
 H                  6.89279305    4.34853347    0.24548071
 H                  5.59390882    4.80855135    1.39711329
 Au                -2.34699022    0.93263623   -0.41623006
 P                 -4.26006011    1.31271645    0.90291841
 C                 -5.08033562    2.91972896    0.55093829
 C                 -5.59172689    0.06513720    0.68460205
 C                 -3.96096179    1.34417631    2.71590387
 H                 -5.36546383    2.95768365   -0.50441989
 H                 -5.97222968    3.04302189    1.17408978
 H                 -4.37989569    3.73519452    0.75332731
 H                 -5.90171314    0.04447989   -0.36409019
 H                 -6.45340831    0.31077401    1.31405082
 H                 -5.21266848   -0.92403659    0.95722512
 H                 -4.89591732    1.53121834    3.25439013
 H                 -3.54505840    0.38395096    3.03408592
 H                 -3.24146109    2.13339664    2.95229838

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

Au 0
SDD


