ttt%nproc=12
%Mem=12000MB
%Chk=IE9_TS3_2_S2S5
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt=(ts, noeigentest, calcfc) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  4.32829000   -0.04627200   -0.08262700
 C                  3.03571000    0.50276000    0.06506300
 C                  1.90630600   -0.35464800   -0.01931500
 C                  2.08417800   -1.73583900   -0.23120200
 C                  3.37825600   -2.26939200   -0.36716800
 C                  4.50976600   -1.42881400   -0.29831800
 H                  1.21836800   -2.40201500   -0.30698100
 H                  5.51338800   -1.84188000   -0.39951300
 C                  0.55519400    0.23293600    0.02887300
 C                  0.35671200    1.57617700   -0.15277300
 C                  2.82944700    1.96197300    0.35931800
 H                  2.68544100    2.10252200    1.44658200
 H                  3.70919000    2.55732700    0.06885500
 C                  1.58364300    2.51279100   -0.40011800
 H                  1.79208100    2.59868800   -1.48275600
 C                  1.04038300    3.74845400    0.14820500
 C                  0.90982700    3.95821700    1.61602300
 H                  0.03519600    4.58233400    1.86024800
 H                  1.80802900    4.53120900    1.93787700
 H                  0.88224600    3.02468600    2.19521100
 C                  0.67487700    4.88663800   -0.73176800
 H                  1.36819600    5.72177400   -0.48604400
 H                 -0.33776100    5.26498000   -0.50384900
 H                  0.76318500    4.65744500   -1.80300000
 C                 -1.01279300    2.17296100   -0.21502200
 C                 -1.51682800    2.70041200   -1.42752900
 C                 -1.85442800    2.16012000    0.92430800
 C                 -2.82288700    3.20615700   -1.49533400
 H                 -0.88226400    2.69662700   -2.32066000
 C                 -3.16428700    2.65853300    0.85165900
 H                 -1.46545500    1.75420500    1.86432700
 C                 -3.65110600    3.18459200   -0.35757300
 H                 -3.20061000    3.60770400   -2.44182700
 H                 -3.80243200    2.64037700    1.74166900
 H                 -4.67130600    3.57877500   -0.41438100
 O                  3.44169200   -3.62246700   -0.56778000
 O                  5.36678700    0.84413100    0.02098800
 C                  6.70347600    0.34964600   -0.14885100
 H                  7.35694800    1.22853200   -0.04946700
 H                  6.84363900   -0.10284400   -1.14896700
 H                  6.96247200   -0.39064800    0.63185300
 C                  4.73895600   -4.22048500   -0.71207400
 H                  5.27485400   -3.81705500   -1.59241200
 H                  4.55447000   -5.29476000   -0.85746100
 H                  5.35558000   -4.07262100    0.19511300
 P                 -3.21496500   -2.04682000    0.24438800
 C                 -4.48031600   -1.07210600    1.16511000
 H                 -5.45920600   -1.58120700    1.14196800
 H                 -4.56534700   -0.07279600    0.70686000
 H                 -4.15151300   -0.95067400    2.21037800
 C                 -3.98411200   -2.36563200   -1.39959700
 H                 -4.96491100   -2.85706300   -1.27894400
 H                 -3.31744700   -3.01095300   -1.99456500
 H                 -4.11294100   -1.40653800   -1.92756600
 C                 -3.18531200   -3.68923200    1.07758300
 H                 -2.79852600   -3.56777700    2.10260400
 H                 -2.51362900   -4.36544000    0.52372800
 H                 -4.19893200   -4.12441700    1.11456200
 Au                -1.18139400   -0.91277100    0.12717300

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

Au 0
SDD


