%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS

1 1
 P                 -0.30970206   -0.01900206   -4.42214234
 Au                -0.25440282    0.19222773   -2.07488536
 C                 -1.99033949    0.10832366   -5.15028397
 H                 -2.42552566    1.07885952   -4.89568611
 H                 -1.94207043    0.00626980   -6.23924635
 H                 -2.62591666   -0.68057526   -4.73830737
 C                  0.34317704   -1.62724113   -5.02149694
 H                 -0.25878495   -2.44128467   -4.60765526
 H                  0.31052124   -1.66913092   -6.11500337
 H                  1.37634651   -1.74799088   -4.68361302
 C                  0.68271450    1.24845944   -5.30420913
 H                  1.72578348    1.18045459   -4.98245205
 H                  0.62426507    1.09283661   -6.38638059
 H                  0.30319832    2.24442037   -5.05864461
 C                 -0.22889136    0.39851089   -0.02613985
 C                 -0.82498823   -0.59361272    0.80723282
 H                 -1.29829910   -1.40997156    0.25796556
 C                  0.69096725    1.38128040    0.58936124
 H                  1.04560069    2.14055519   -0.10866202
 H                  0.36958438    1.85366935    1.52098883
 C                 -1.52340443   -0.34389359    2.11758223
 C                 -1.96885463    0.93378272    2.49199002
 C                 -1.81374762   -1.42824875    2.96162106
 C                 -2.63384668    1.12855956    3.70373891
 H                 -1.81728212    1.77804823    1.82724004
 C                 -2.47605806   -1.23416264    4.17373153
 H                 -1.52795983   -2.43566546    2.66919889
 C                 -2.87743896    0.04864478    4.55533807
 H                 -2.96944803    2.12509660    3.97577255
 H                 -2.68354170   -2.08546015    4.81547114
 H                 -3.39305567    0.20175528    5.49874340
 C                  1.99792718    0.49426731    1.04401806
 C                  2.36361780   -0.45937876   -0.08627662
 N                  1.56172375   -0.43505327    2.03705344
 H                  2.79835101    1.16426433    1.34969423
 O                  1.61813068   -1.60522194    0.14462539
 O                  3.08244732   -0.32658505   -1.03431633
 C                  0.88613306   -1.38294490    1.31828631
 H                  0.56147180   -2.29526679    1.80540693
 C                  1.31962382   -0.07588997    3.44179162
 C                  0.89980846   -1.04973062    4.34835705
 C                  1.50969871    1.23841952    3.86841819
 C                  0.66949373   -0.70910647    5.68108060
 H                  0.74930735   -2.08565463    4.01152973
 C                  1.28030702    1.57910415    5.20173110
 H                  1.84074733    2.00604598    3.15407552
 C                  0.86013442    0.60565047    6.10803124
 H                  0.33798491   -1.47651130    6.39556520
 H                  1.43065164    2.61537312    5.53791160
 H                  0.67853281    0.87397125    7.15889809

-C -H -N -P -O 0
6-31G(d)
****
Au 0
SDD
****

Au
SDD



