%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                 -0.66667693   -0.03799376   -3.48371994
 Au                 0.26614696    0.04204819   -1.33806090
 C                 -1.82148177    1.34308806   -3.83960044
 H                 -1.28851260    2.29436769   -3.75651601
 H                 -2.23121461    1.24161971   -4.85003762
 H                 -2.63821008    1.33120406   -3.11266310
 C                 -1.63721533   -1.56346840   -3.79738769
 H                 -2.45246079   -1.63238979   -3.07173962
 H                 -2.05103822   -1.54415403   -4.81087655
 H                 -0.98946512   -2.43733521   -3.68443007
 C                  0.57602265    0.02305258   -4.83123970
 H                  1.26276774   -0.82209416   -4.73304029
 H                  0.07800983   -0.02283998   -5.80511233
 H                  1.14758543    0.95242486   -4.75780437
 C                  1.20749237    0.19001257    0.57148603
 C                  0.23656672   -0.46802216    1.33890453
 H                  0.21747386   -1.55508878    1.28635925
 C                  2.37379929    0.78777785    0.79696966
 H                  2.94924728    1.26263134    0.00890243
 H                  2.79692638    0.80593803    1.80183661
 H                  2.24172878   -0.88921112    3.63903269
 H                  0.79934768   -1.65957048    3.82317328
 N                  1.23435340   -0.78229702    3.52788106
 N                  0.78456171    0.20762185    4.43559058
 H                  0.64801083    1.11005200    3.99081566
 C                 -0.23782818   -0.17727052    5.28232649
 O                 -0.51094533   -1.34019864    5.53552280
 O                 -0.85210853    0.90466370    5.78382736
 C                 -1.94404291    0.62897501    6.68361028
 H                 -1.59100257    0.07096093    7.55417729
 H                 -2.32335264    1.60568199    6.98194286
 H                 -2.72062718    0.05753897    6.16944154
 H                 -0.62852127    0.00049908    1.75963083

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

Au
SDD



