%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Direct TS smaller step

1 1
 P                 -0.88946356    0.17782630   -2.91513046
 Au                -0.47145623   -0.26343964   -0.66542337
 C                 -2.67743656    0.31900822   -3.29861695
 H                 -3.11616212    1.12377713   -2.70206761
 H                 -2.81887390    0.53482098   -4.36260438
 H                 -3.17910293   -0.61998132   -3.04824548
 C                 -0.25764017   -1.10758398   -4.06103541
 H                 -0.70982021   -2.07197098   -3.81337688
 H                 -0.50432363   -0.84373583   -5.09454713
 H                  0.82766315   -1.18914773   -3.95492422
 C                 -0.15027526    1.74909151   -3.50758557
 H                  0.93516248    1.71213024   -3.38030594
 H                 -0.38861983    1.90211540   -4.56521165
 H                 -0.54647763    2.58224420   -2.92035658
 C                 -0.11826448   -0.80054097    1.39487872
 C                 -1.19532610   -1.42723464    2.26368080
 H                 -0.82400406   -2.26354494    2.86491790
 C                  1.15860254   -1.25955995    1.41166778
 H                  1.44601458   -2.17221448    1.93936623
 N                 -1.82005083    0.91962478    2.40276722
 C                 -2.85718078    1.05396539    1.39780614
 H                 -3.82867652    0.93059544    1.87903283
 H                 -2.79559306    2.05017840    0.95617441
 H                 -2.74608957    0.30326737    0.59809298
 C                 -1.70461602   -0.29465262    3.23090849
 H                 -2.60048248   -0.53559205    3.79828378
 C                 -0.50878248    0.09931234    4.08179375
 O                 -0.12145660   -0.27465049    5.14817747
 O                  0.21836682    0.99532591    3.28931606
 C                 -0.51749762    1.17017140    2.13836039
 H                 -0.18087662    1.95228401    1.47321587
 H                 -2.04439431   -1.78415268    1.67303635
 C                  2.30069884   -0.52023540    0.69013104
 C                  3.03805741   -1.17169795   -0.29899499
 C                  2.59791772    0.80068418    1.02536307
 C                  4.07282407   -0.50253350   -0.95221673
 H                  2.80398911   -2.21333633   -0.56251598
 C                  3.63232584    1.47051431    0.37134676
 H                  2.01674876    1.31434706    1.80480012
 C                  4.36985951    0.81911841   -0.61722012
 H                  4.65447125   -1.01616121   -1.73142764
 H                  3.86617531    2.51213187    0.63558436
 H                  5.18574302    1.34654530   -1.13243980

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

Au
SDD



