%nproc=20
%Mem=40000MB
%Chk=IE12_TSP_3a_F_A_2
#p SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt=(modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm  
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                -1.11206177    2.16635934    2.56741048
 P                 -0.25243795    4.35497781    2.87200723
 C                 -0.42762519    5.39944730    1.38880345
 H                 -1.49116193    5.47708960    1.12847474
 H                 -0.03524827    6.40641498    1.58615616
 H                  0.11592627    4.95872339    0.54454178
 C                  1.51296985    4.46633774    3.30676481
 H                  1.81514817    5.51845009    3.39490146
 H                  1.69483184    3.95856405    4.26159846
 H                  2.11923462    3.98095162    2.53260503
 C                 -1.11090067    5.31477909    4.16106792
 H                 -0.61907135    6.28786605    4.29601530
 H                 -2.14896831    5.48176284    3.84505746
 H                 -1.10531885    4.77215260    5.11377039
 C                 -2.16859500   -0.69148500    3.14293600
 H                 -2.38410900   -0.42649800    4.17801800
 C                 -1.93123500    0.31157100    2.21360200
 C                 -4.01722255    0.94963971    1.89306690
 C                 -4.14031464    0.05811288    0.84691765
 H                 -1.72659300   -0.03830700    1.19484900
 C                 -3.55735364    0.35364188   -0.50346735
 H                 -4.33360664    0.27440488   -1.28078235
 H                 -3.12273664    1.35879088   -0.57515835
 H                 -2.77576964   -0.36929112   -0.77787635
 C                 -4.59936900   -1.42342900    1.01367700
 H                 -5.29023300   -1.52180900    1.86499900
 H                 -5.10714800   -1.87090300    0.14433100
 C                 -3.34291800   -2.25667300    1.29615900
 H                 -3.60321100   -3.32112700    1.20233800
 H                 -2.57704900   -2.06991600    0.53230300
 C                 -2.79550800   -2.08362100    2.68434200
 H                 -3.47913800   -2.40899100    3.47420600
 C                 -1.39134100   -2.10951900    3.03093800
 C                 -0.30491200   -2.27079100    2.00223200
 H                 -0.10818100   -3.34416900    1.86988000
 H                 -0.55081500   -1.85918700    1.01917000
 H                  0.62618400   -1.80421900    2.34845000
 C                 -0.99569700   -2.59428100    4.40040000
 H                 -0.10720800   -2.06317200    4.76566700
 H                 -1.80434900   -2.47440400    5.13137000
 H                 -0.74660600   -3.66366200    4.34346700
 H                 -4.70086273    0.55896757    2.65464248
 C                 -4.29183232    2.30762256    1.32785888
 H                 -4.67459516    2.96636005    2.12173601
 H                 -3.37237935    2.78313986    0.95507745
 C                 -5.31382798    2.27200612    0.19918396
 H                 -4.95020537    1.66742792   -0.64845424
 H                 -6.24554343    1.77690160    0.52091313
 C                 -6.57464933    3.67623395   -1.51882808
 H                 -6.91324851    4.69721528   -1.72064760
 H                 -6.02223534    3.30286816   -2.39281442
 H                 -7.43949078    3.01292194   -1.38593932
 C                 -5.68129890    3.64324892   -0.31366683
 O                 -5.27195885    4.66384982    0.21369678

17 19 F
17 18 F

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

Au 0
SDD

--link1--
%nproc=20
%Mem=40000MB
%Chk=IE12_TSP_3a_F_A_2
#p geom=checkpoint guess=read SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt=(ts,noeigentest,calcfc,modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm  
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

17 19 A
17 18 A

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

Au 0
SDD



