%nprocshared=8
%mem=22GB
#p opt=(ts,calcfc,noeigentest,maxstep=10) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Direct TS

1 1
 C                 -0.64339231   -0.91695198   -1.16683425
 C                 -0.63519158   -2.07311653   -0.05815326
 H                 -0.26980495   -0.81432902    0.16968704
 C                 -2.04712922   -0.68082799   -1.62613571
 H                 -2.20554250   -0.34530439   -2.64538492
 C                  0.51114699   -3.00820367    0.05961171
 C                  1.21599686   -3.45107240   -1.07210602
 C                  0.91786820   -3.47837879    1.32376812
 C                  2.28198876   -4.34471383   -0.94679438
 H                  0.91557964   -3.12174256   -2.06164069
 C                  1.97518587   -4.37883529    1.44582809
 H                  0.40838059   -3.12849576    2.21642706
 C                  2.66442048   -4.81602986    0.31048793
 H                  2.80696654   -4.67602933   -1.83804076
 H                  2.26933961   -4.72997177    2.43075002
 H                  3.49021902   -5.51431685    0.40755862
 N                 -2.91340221   -1.47916686    0.46897559
 C                 -3.99829620   -1.41514455    1.44375559
 H                 -4.00199592   -0.44906979    1.96114415
 H                 -4.96025149   -1.55330251    0.94234013
 H                 -3.87624322   -2.20893784    2.18440305
 C                 -1.78643816   -2.20835668    0.69343055
 H                 -1.84154726   -2.95029358    1.48265783
 C                 -3.08613466   -0.90593551   -0.81844151
 H                 -4.11742480   -0.74968542   -1.11431534
 H                  0.10299782   -1.12804969   -1.92616549
 P                  0.76271454    3.14445484    0.41974638
 Au                 0.12074008    1.02146945   -0.35666082
 C                 -0.60901538    4.07596695    1.20473753
 H                 -1.03184688    3.47804056    2.01604080
 H                 -0.23233010    5.02338814    1.60353610
 H                 -1.38905751    4.27395890    0.46486554
 C                  1.43357989    4.27445427   -0.86089481
 H                  0.67609035    4.46394021   -1.62613092
 H                  1.72101034    5.21930436   -0.38859441
 H                  2.30974289    3.82217637   -1.33355565
 C                  2.07582021    3.06699934    1.69875044
 H                  2.95916861    2.57367095    1.28450114
 H                  2.33984108    4.07809624    2.02544701
 H                  1.71888084    2.48909066    2.55558956

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

Au 0
SDD


