%nprocshared=20
%mem=41GB
%chk=i3transpme3anisyl.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                  0.95537803    0.58241326   -1.03733339
 C                  0.27814927   -0.62380925   -1.00774812
 C                 -0.19184329   -1.63135052    1.05827470
 H                 -0.69363374   -0.79138878    1.54892707
 H                  0.05899082   -2.37046632    1.82170094
 C                  0.97676501   -1.14535721    0.19793503
 H                  1.66481072   -1.96076073   -0.05784247
 C                  1.76616765    0.24205795    0.24329241
 C                 -0.87860579   -1.47843955   -1.39527145
 H                 -0.57452543   -2.21600953   -2.14614523
 H                 -1.74079233   -0.93662068   -1.78338611
 C                 -1.17273900   -2.22817338   -0.02968888
 O                 -3.43713147   -2.63256808   -0.53512774
 O                 -1.34127920   -4.40560452    0.87335688
 C                 -4.85599538   -2.56840996   -0.26630718
 H                 -5.19050086   -1.52888154   -0.25226884
 H                 -5.32937850   -3.11457000   -1.08094463
 H                 -5.07625600   -3.03774124    0.69535227
 C                 -1.08662824   -5.82874231    0.87919215
 H                 -1.54292883   -6.29506550    0.00285115
 H                 -0.01044090   -6.01700532    0.87664215
 H                 -1.54194834   -6.19990385    1.79620671
 H                  1.14528559    1.29817953   -1.83598749
 C                 -2.63603783   -2.05694197    0.37365188
 C                 -0.87270391   -3.72800568   -0.18236930
 O                 -0.25627695   -4.22910975   -1.09929634
 O                 -3.03127134   -1.46372735    1.35531023
 H                  1.47129767    0.83881149    1.11091036
 C                  3.26467945    0.19471093    0.13292992
 C                  4.07450450    0.64980044    1.17721801
 C                  3.89366795   -0.32500744   -1.01228158
 C                  5.46954447    0.59356962    1.10295208
 H                  3.61302817    1.05743909    2.07399248
 C                  5.27741295   -0.38950902   -1.10404450
 H                  3.29071248   -0.68424247   -1.84324453
 C                  6.07852909    0.06978590   -0.04469391
 H                  6.06064414    0.95828726    1.93464546
 H                  5.76484356   -0.78990161   -1.98756706
 O                  7.42377373   -0.03480148   -0.23361126
 C                  8.28925301    0.41242238    0.80682890
 H                  9.30422765    0.23592908    0.44755906
 H                  8.15496092    1.48293566    1.00722105
 H                  8.12743768   -0.15310941    1.73325282
 Au                -0.78081361    1.57667354   -0.36712069
 P                 -2.71832569    2.68622365    0.38080679
 C                 -2.57184032    4.51811407    0.33664071
 C                 -4.22652471    2.32684102   -0.60592129
 C                 -3.20928880    2.31254028    2.11189945
 H                 -2.35275705    4.83969375   -0.68566482
 H                 -3.50085871    4.98836391    0.67543838
 H                 -1.74850947    4.83075386    0.98544281
 H                 -4.05467918    2.61014798   -1.64826475
 H                 -5.08284897    2.88515866   -0.21345696
 H                 -4.44183753    1.25517760   -0.56528530
 H                 -4.11191371    2.87050020    2.38216416
 H                 -3.40145945    1.24064268    2.21365476
 H                 -2.39539259    2.58851350    2.78854123

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

Au 0
SDD


