%nproc=20
%Mem=40000MB
%Chk=IE10_TS39bb-Int2-Int7
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
C                  2.67230700    4.38571600   -2.74400600
 H                  2.37943100    5.44138200   -2.67698300
 H                  1.96011800    3.86625200   -3.39815600
 C                  2.68926500    3.74694900   -1.35828300
 H                  3.38702600    4.33680600   -0.75036000
 C                  1.37734000    3.65916000   -0.61808500
 C                  0.17869100    4.23125400   -1.04892100
 H                  0.14231700    4.80391600   -1.97089900
 C                 -0.98601700    4.07103200   -0.29167600
 H                 -1.91392500    4.52411000   -0.62860200
 C                 -0.95677400    3.32574600    0.88824900
 H                 -1.86334600    3.19447300    1.47226200
 C                  0.23797100    2.74151500    1.32010400
 H                  0.26530100    2.14510500    2.22577100
 C                  1.40482200    2.91549400    0.57774700
 C                  3.19286000    1.44588300   -0.23278500
 C                  4.70509948    2.30893990   -1.78944775
 C                  3.27343700    2.31297900   -1.52661500
 H                  2.73047400    1.81027100   -2.33070500
 Au                 3.20139500   -1.25911100    1.25135200
 P                  2.97315800   -2.85877900    2.95718700
 C                  3.77058700   -2.37543000    4.54203500
 H                  3.62119400   -3.15146100    5.29992900
 H                  3.33532700   -1.43524700    4.89348400
 H                  4.84223900   -2.22592600    4.38170600
 C                  1.23056600   -3.21165400    3.42505000
 H                  1.19035700   -3.95200800    4.23105300
 H                  0.69030900   -3.59300700    2.55384300
 H                  0.75009700   -2.28662500    3.75662400
 C                  3.68044900   -4.51243900    2.57931800
 H                  3.18533900   -4.92440500    1.69523600
 H                  3.53956600   -5.19319500    3.42540300
 H                  4.74881400   -4.41255300    2.36736600
 C                  3.40864000    0.11410100   -0.26567800
 H                  3.69482400   -0.27389600   -1.24756200
 O                  2.64699300    1.49638100    2.13851500
 C                  2.91011600    2.21932800    3.33809900
 H                  2.20667100    3.05171600    3.47126300
 H                  3.93657000    2.61192000    3.34581700
 H                  2.78966600    1.51014400    4.15979800
 O                  4.02238052    4.23355210   -3.21418025
 H                  4.00976952    4.28396810   -4.18258125
 C                  5.27865048    1.40681390   -2.81552875
 H                  4.53156748    1.01136290   -3.50410375
 H                  5.79063748    0.57366190   -2.31397675
 H                  6.06008948    1.94421690   -3.36706575
 C                  5.66287648    3.10976890   -0.98701175
 H                  5.28657648    3.39147690   -0.00323975
 H                  5.82465848    4.03553990   -1.55924175
 C                  2.73638700    2.27652300    0.97027300
 H                  3.47356200    3.08030600    1.14004400
 C                  7.02305953    2.39989346   -0.85442622
 H                  7.72513480    2.84562964   -1.52770891
 H                  6.90901186    1.36306920   -1.09293948
 C                  7.53692190    2.54074317    0.59046368
 H                  6.88953942    2.31237154    1.41122085
 C                  8.80624369    2.95294043    0.82601122
 C                  9.31195736    3.09105433    2.27403685
 H                  9.34974978    2.12489904    2.73231155
 H                 10.29108421    3.52255895    2.27024656
 H                  8.64641040    3.72166723    2.82564777
 C                  9.74467689    3.28370655   -0.34937676
 H                  9.79784446    2.44408053   -1.01051318
 H                  9.36615098    4.13218841   -0.88012781
 H                 10.72206324    3.50466863    0.02584539

17 41 F
43 41 F

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

Au 0
SDD

--link1--
%nproc=20
%Mem=40000MB
%Chk=IE10_TS39bb-Int2-Int7
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(ts, noeigentest, calcfc, modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

17 41 A
43 41 A

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

Au 0
SDD



