%nprocshared=20
%mem=41GB
%chk=i3cispme3anisyl.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                  0.73555645   -0.15234252    2.21823642
 C                  0.74573635    1.12818674    1.70476752
 C                  1.53884138    1.48475390   -0.46072254
 H                  0.89251640    0.76731046   -0.97500172
 H                  2.33930103    1.77256601   -1.14551320
 C                  1.99261670    0.95497244    0.90407226
 H                  2.81646449    1.56524199    1.29507614
 C                  2.05141264   -0.52004967    1.48609656
 C                  0.05247040    2.41093914    1.39040355
 H                  0.35609864    3.18994562    2.09781089
 H                 -1.03684388    2.36093641    1.39163873
 C                  0.66180508    2.73270826   -0.03553459
 O                 -1.21987000    4.01701413   -0.64723670
 O                  1.87550368    4.43422351   -1.14960917
 C                 -2.22565564    4.46370194   -1.58385562
 H                 -2.88449651    3.63631624   -1.85404666
 H                 -2.77932750    5.24430621   -1.06413453
 H                 -1.74757894    4.85958788   -2.48311055
 C                  2.80332700    5.54254340   -1.19787397
 H                  2.40756317    6.38818283   -0.63073308
 H                  3.76804538    5.24116170   -0.78313317
 H                  2.89730538    5.79395713   -2.25324290
 H                  0.24579605   -0.59597947    3.08206591
 C                 -0.40887012    3.03820423   -1.07906678
 C                  1.59978991    3.94849368    0.06668060
 O                  2.07383826    4.37533738    1.09887556
 O                 -0.51647485    2.48611632   -2.15331361
 H                  2.89181521   -0.59743339    2.18848900
 C                  2.04326852   -1.71940060    0.57506356
 C                  1.50775730   -2.93268042    1.02655564
 C                  2.62396893   -1.68869063   -0.70205226
 C                  1.53933286   -4.08637402    0.24030708
 H                  1.05626651   -2.98364051    2.01441406
 C                  2.65232760   -2.82505735   -1.50275934
 H                  3.06050440   -0.76669805   -1.07468871
 C                  2.10480802   -4.03194536   -1.04014634
 H                  1.10621512   -5.00169385    0.62464717
 H                  3.08844878   -2.80001462   -2.49646655
 O                  2.15301925   -5.07752787   -1.91232863
 C                  1.61417500   -6.32986609   -1.49575482
 H                  1.76257371   -7.01247240   -2.33363537
 H                  2.13687701   -6.71714302   -0.61229827
 H                  0.54175541   -6.25061455   -1.27690551
 Au                -0.88401000   -0.60026657    0.94212178
 P                 -2.69137363   -1.10012994   -0.48196506
 C                 -3.42753422   -2.75567278   -0.17135824
 C                 -4.10916718    0.06100913   -0.34387104
 C                 -2.28843459   -1.11258781   -2.27496555
 H                 -3.76916809   -2.81157552    0.86627403
 H                 -4.27307695   -2.93491676   -0.84361045
 H                 -2.66679773   -3.52535106   -0.33084743
 H                 -4.47888025    0.06203506    0.68549031
 H                 -4.91654799   -0.23843048   -1.02026605
 H                 -3.77825391    1.07212403   -0.59806874
 H                 -3.17767846   -1.35817263   -2.86490407
 H                 -1.91640016   -0.12803895   -2.57245854
 H                 -1.50842707   -1.85486990   -2.46741797

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

Au 0
SDD


