%nproc=20
%Mem=40000MB
%Chk=IE10_TS39ab-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                  2.77232800    4.54007900   -2.63114100
 H                  2.48644500    5.59598600   -2.56336600
 H                  2.11966900    4.04018000   -3.35619200
 C                  2.70143200    3.85752400   -1.27022600
 H                  3.33679500    4.44482700   -0.59606300
 C                  1.35964100    3.69666200   -0.60593600
 C                  0.15901300    4.22543700   -1.08161000
 H                  0.14276500    4.82033700   -1.99044800
 C                 -1.03125700    3.99036600   -0.38576700
 H                 -1.96333700    4.40800400   -0.75543200
 C                 -1.02135000    3.21489700    0.77509200
 H                 -1.94748000    3.02538500    1.31046600
 C                  0.17788400    2.67417900    1.25046300
 H                  0.18950400    2.05360200    2.14016800
 C                  1.36940500    2.92159700    0.57089900
 C                  3.23912300    1.54421300   -0.20599100
 C                  4.78848000    2.51662800   -1.73897100
 C                  3.34257200    2.45587400   -1.46395400
 H                  2.82608200    1.96280900   -2.29210400
 Au                 3.27890700   -1.21524600    1.17584700
 P                  3.06415200   -2.89356500    2.80627700
 C                  3.71023300   -2.42114200    4.46142800
 H                  3.56444800   -3.23554700    5.17880300
 H                  3.18668600   -1.52772500    4.81414800
 H                  4.77717900   -2.19305400    4.38314200
 C                  1.32789000   -3.40218600    3.13350900
 H                  1.29258500   -4.18088800    3.90275800
 H                  0.88047000   -3.78214300    2.21059800
 H                  0.75290300   -2.53383100    3.46816000
 C                  3.92962800   -4.46953300    2.42332700
 H                  3.54350200   -4.87933400    1.48557200
 H                  3.77703200   -5.19651600    3.22792300
 H                  5.00016200   -4.27739400    2.30632800
 C                  3.47366500    0.22008900   -0.28284200
 H                  3.77644700   -0.12773700   -1.27381000
 O                  2.60249300    1.50641400    2.14377900
 C                  2.77602800    2.20787600    3.37162400
 H                  2.03679300    3.01157100    3.48728100
 H                  3.78558600    2.63675200    3.44256500
 H                  2.63927100    1.47506800    4.16988900
 O                  4.15427500    4.43567600   -3.02055000
 H                  4.21581300    4.38018500   -3.98783800
 C                  5.38452300    1.60999600   -2.75634700
 H                  4.60783900    1.03045800   -3.26082700
 H                  5.86007000    2.25090500   -3.51167900
 C                  5.73106000    3.26986000   -0.86929800
 H                  5.25856800    4.05876000   -0.28725600
 H                  6.54045600    3.69060300   -1.47300300
 H                  6.19273700    2.55706900   -0.17277600
 C                  2.71062300    2.32315700    1.00162000
 H                  3.41496800    3.14478700    1.22036900
 C                  6.48404700    0.65689500   -2.18358300
 H                  7.34954500    1.25633300   -1.87854100
 H                  6.09758100    0.15391700   -1.29144300
 C                  6.89033400   -0.35518100   -3.21707400
 H                  7.36262900    0.04022400   -4.11690900
 C                  6.69234900   -1.66898500   -3.09281800
 C                  6.02344891   -2.26906359   -1.84218682
 H                  6.34399139   -1.73214545   -0.97392912
 H                  4.96018761   -2.19395207   -1.93564090
 H                  6.30141269   -3.29803084   -1.74804576
 C                  7.13173349   -2.66034066   -4.18632393
 H                  7.74762965   -3.42010610   -3.75235572
 H                  6.26728602   -3.11082375   -4.62756711
 H                  7.68557134   -2.13889087   -4.93882227

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_TS39ab-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



