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

opt freq

1 1
 Au                 0.24412865   -1.82567354    0.41883882
 C                  1.34712925   -0.16034553    1.45075874
 C                  0.39573512    0.50354896    1.04438902
 C                  0.62558567    2.18225015   -1.45749245
 H                  0.33101922    1.17750818   -1.76601146
 H                  0.37507915    2.85102127   -2.28698337
 C                  2.10368494    2.27379739   -1.17980865
 H                  2.44617466    3.26935836   -0.90367886
 C                  3.04231993    1.31379573   -1.23148475
 C                 -0.71468243    1.35491386    0.60601294
 H                 -1.25831403    1.69960281    1.49017168
 H                 -1.40987591    0.74940525    0.01512450
 C                 -0.28364657    2.58267572   -0.25021346
 O                 -2.32315665    3.66902453    0.26121562
 O                  0.57392972    4.76713207    0.02461651
 C                 -3.58741582    4.28394615   -0.07752688
 H                 -4.22806823    3.56507762   -0.59364477
 H                 -4.02722891    4.58239490    0.87289603
 H                 -3.41999397    5.15277328   -0.71814275
 C                  1.23814548    5.81289239    0.77137103
 H                  0.66834104    6.04739665    1.67332735
 H                  2.24672379    5.49475596    1.04566907
 H                  1.27204972    6.66964037    0.10018684
 P                 -0.72392357   -3.81061196   -0.28285260
 C                 -2.44064779   -3.96126997    0.34329521
 C                 -0.83720530   -4.07010870   -2.09034865
 H                  2.27361901   -0.44312654    1.91116374
 C                 -1.59085609    3.22005822   -0.76816487
 C                  0.41434717    3.60027467    0.66087421
 O                  0.78993349    3.37053151    1.79084142
 O                 -1.92903512    3.28334871   -1.92937333
 H                  4.04954325    1.61030375   -0.93821699
 C                  0.16267011   -5.28003370    0.35700428
 H                  0.19284956   -5.24631882    1.44922601
 H                 -0.34754910   -6.19229574    0.03141566
 H                  1.18380020   -5.27735572   -0.02976943
 H                 -2.43999844   -3.88095018    1.43351470
 H                 -2.86212206   -4.92709327    0.04664010
 H                 -3.05072470   -3.15436530   -0.07206520
 H                 -1.31046123   -3.20582115   -2.56300327
 H                 -1.43310570   -4.96757581   -2.28730360
 H                  0.16880396   -4.20411990   -2.49311557
 C                  2.90068699   -0.17830806   -1.58527337
 H                  3.56214538   -0.41806427   -2.39143077
 H                  3.14949259   -0.77259907   -0.73098187
 H                  1.89201568   -0.38098186   -1.87922155

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

Au 0
SDD




