%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                  0.22254839   -0.09323787   -2.93760961
 Au                -0.41188257    0.10806283   -0.67882907
 C                 -1.02083055   -0.94998969   -3.98204187
 H                 -1.96460814   -0.39818798   -3.95262662
 H                 -0.66788805   -1.01334511   -5.01647487
 H                 -1.19028583   -1.95788358   -3.59261343
 C                  1.77116959   -1.05039008   -3.17427791
 H                  1.64568968   -2.05268143   -2.75502725
 H                  2.01130763   -1.12837309   -4.23956545
 H                  2.59087092   -0.55073361   -2.65050012
 C                  0.52272244    1.50684156   -3.78564910
 H                  1.31910319    2.04922517   -3.26806951
 H                  0.81469443    1.33669770   -4.82711653
 H                 -0.38926666    2.10993820   -3.75800802
 C                 -0.99617640    0.24382561    1.29441302
 C                 -1.28061203   -1.01044999    2.04907950
 H                 -1.18852049   -1.88708357    1.40693567
 C                 -0.89082553    1.44267757    2.01610862
 H                 -0.60280884    2.34990828    1.49010860
 H                 -1.43768437    1.62122467    2.94276300
 C                  0.77945174    0.84502016    3.07945416
 C                  1.61716308    0.11983429    2.07133817
 N                  0.24171945   -0.13846595    3.82640893
 H                  1.10570682    1.77787196    3.52284373
 N                  0.03627959   -1.24975322    3.01510160
 O                  1.16524523   -1.18329965    2.11457861
 O                  2.51684464    0.48662837    1.36984109
 C                 -0.51031300    0.00342162    5.06891069
 H                 -0.60247365   -0.98273631    5.52152967
 H                  0.05504500    0.66815400    5.72339057
 H                 -1.50671513    0.41486960    4.88198192
 H                 -2.14487793   -1.10910205    2.67214629

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

Au
SDD



