%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                  0.09823914   -0.23555021   -2.80270100
 Au                -0.06745308    0.41904869   -0.57876964
 C                 -1.49799213   -0.18205886   -3.70574384
 H                 -1.88470881    0.84077413   -3.70583191
 H                 -1.35715427   -0.51921019   -4.73784471
 H                 -2.22105870   -0.83243942   -3.20551602
 C                  0.69637469   -1.95803902   -3.00529404
 H                  0.01143013   -2.64337164   -2.49834408
 H                  0.75117613   -2.21562870   -4.06800354
 H                  1.68796443   -2.05471038   -2.55452790
 C                  1.24853384    0.78473914   -3.80365789
 H                  2.25271136    0.72564276   -3.37473515
 H                  1.27108729    0.42123314   -4.83623112
 H                  0.92010720    1.82772407   -3.79126541
 C                 -0.40048650    0.98391017    1.47381007
 C                 -1.43715676    0.25127662    2.31932296
 H                 -2.21230627   -0.22932115    1.71734373
 C                 -0.26585499    2.33118991    1.60064042
 H                  0.53421088    2.87916134    1.10885474
 H                 -0.96950120    2.93570246    2.18004764
 N                  0.64417356   -0.18224476    3.46550084
 C                  0.72199260    0.93052051    4.39308307
 H                  0.28687193    0.62290425    5.34478797
 H                  1.77021887    1.19645227    4.53984523
 H                  0.18061124    1.80904823    4.00648369
 C                 -0.63959488   -0.83278427    3.14064315
 H                 -1.16517396   -1.24184338    4.00013794
 C                 -0.15459894   -1.88218095    2.15448520
 O                 -0.64256609   -2.90107315    1.76415482
 O                  1.03527196   -1.37099093    1.63049864
 H                 -1.92765573    0.91448751    3.04117691
 N                  1.23545886   -0.15934462    2.25392440

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

Au
SDD



