%nprocshared=24
%mem=41GB
#p opt=(ts,noeigentest,calcfc,maxstep=7) freq=noraman b3lyp empiricaldispersion=gd3 genecp scrf=(solvent=dichloromethane,pcm) nosymm scf=(xqc,maxcyc=512)

ts opt freq

1 1
 P                 -0.15073578    0.20457126   -2.85649773
 Au                 0.29343869   -0.15553599   -0.59507723
 C                 -1.64773855   -0.67962436   -3.44060676
 H                 -2.51694800   -0.34558739   -2.86575329
 H                 -1.81486646   -0.47630963   -4.50384484
 H                 -1.51962231   -1.75530237   -3.29167958
 C                  1.19924838   -0.34765611   -3.96861988
 H                  1.37483556   -1.41755841   -3.82798413
 H                  0.92879614   -0.15570617   -5.01210480
 H                  2.11590541    0.19585691   -3.72552907
 C                 -0.43690641    1.96286539   -3.29365166
 H                  0.45378540    2.54970669   -3.05243774
 H                 -0.65180470    2.05078646   -4.36353375
 H                 -1.28281386    2.35075002   -2.71890241
 C                  0.73872968   -0.67256984    1.44565198
 C                 -0.11345234   -1.65121206    2.22194302
 H                  0.48684603   -2.33545739    2.82832592
 C                  2.09201163   -0.64798751    1.54903489
 H                  2.68778489    0.16151692    1.13396094
 H                  2.65015809   -1.44017759    2.05273984
 N                 -1.52719834    0.31204417    2.36950062
 C                 -2.56998984    0.06144427    1.39270269
 H                 -3.37295668   -0.50769386    1.86257008
 H                 -2.95807585    1.01607339    1.03358864
 H                 -2.16838242   -0.50268704    0.53288457
 C                 -0.97457115   -0.78524685    3.18150061
 H                 -1.72778800   -1.31546999    3.75999687
 C                  0.36917459    1.01418818    3.38444738
 O                  1.18979970    1.78493985    3.80456585
 O                 -0.08184061   -0.08882139    4.06282721
 C                 -0.42138127    1.03764799    2.10700322
 H                 -0.42121161    1.88685251    1.43752592
 H                 -0.76829441   -2.24517055    1.57666208

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

Au 0
SDD






