%nproc=20
%Mem=40000MB
%Chk=IE9_Cy_OMe_4+2_D_TS200_100
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt=(modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                -1.39352300    7.18253400    7.91101800
 C                 -4.44664100    5.49266400    7.74199600
 C                 -5.63868600    4.93772900    8.27059500
 C                 -6.75109000    4.66579500    7.46512300
 C                 -6.69574800    4.96048400    6.09452400
 C                 -5.51868700    5.48523300    5.54935500
 C                 -4.37076600    5.74795800    6.33768900
 C                 -3.17124900    6.22121600    5.59038100
 C                 -1.96436400    5.47931500    5.57842800
 C                 -0.91393000    5.79394800    4.71148800
 C                 -1.03961800    6.85741900    3.77727700
 C                 -2.20715100    7.66411800    3.85196500
 C                 -3.24700600    7.34090800    4.73210900
 C                 -0.40963500    7.82862200    1.56118200
 C                  0.58587300    7.26535900    0.50557700
 C                  1.75532500    6.73642300    1.35257700
 C                  1.03568600    6.12711800    2.57827700
 C                 -2.49212200    4.53542800    9.87198900
 C                 -4.04204300    7.36078600   10.05660100
 P                 -3.15786200    6.06306900    8.93776500
 N                 -0.08324500    7.06287500    2.78437500
 H                 -1.45299100    7.61476000    1.25354100
 H                  0.88665100    8.02910900   -0.22841000
 H                  0.10635800    6.43394800   -0.04010200
 H                  2.41620800    7.55806300    1.68064900
 H                  2.37280800    5.99360500    0.82301100
 H                  1.69431300    6.14411700    3.46432400
 H                 -5.71343300    4.72832800    9.33899400
 H                 -7.65425600    4.23672700    7.91093300
 H                 -7.55823100    4.76621000    5.44815900
 H                 -5.45701500    5.67586800    4.47247400
 H                 -1.87146600    4.59195800    6.21046100
 H                 -0.01173800    5.18012000    4.74087400
 H                 -4.14830700    7.96439600    4.74219800
 H                 -2.31106000    8.54211500    3.20888900
 C                 -0.12992700    9.53642200    7.44312400
 C                  0.23682300    8.32360700    7.14472400
 C                  1.38714900    7.66338700    6.52714000
 C                  1.82709800    6.38397700    6.93977600
 H                  1.29587100    5.87132700    7.74985500
 C                  3.60990200    6.43237400    5.27663200
 H                  4.47081700    5.95668700    4.79559500
 C                 -2.96774100    8.23699700   10.74703000
 H                 -2.32765300    7.66453400   11.43705100
 H                 -2.31354100    8.73689400   10.01142200
 H                 -3.48065600    9.01980100   11.33655500
 C                 -4.96717300    6.77028300   11.14023300
 H                 -5.77432400    6.14799300   10.72270400
 H                 -4.40976400    6.18016800   11.88634900
 H                 -5.45113300    7.60681400   11.67830500
 C                 -4.86082700    8.25462900    9.09269400
 H                 -4.23595500    8.66040800    8.27556000
 H                 -5.70818800    7.71288400    8.64046400
 H                 -5.26462700    9.11139900    9.66334900
 C                 -1.54337300    5.03332900   10.98495100
 H                 -0.78441000    5.73507500   10.59310100
 H                 -2.09187600    5.52558100   11.80566600
 H                 -1.01275800    4.16432600   11.41627700
 C                 -3.57435400    3.61314300   10.47263300
 H                 -3.06758900    2.79513800   11.01808900
 H                 -4.23105500    4.12791900   11.19161400
 H                 -4.19601000    3.14855400    9.68976100
 C                 -1.68354300    3.72247400    8.83333400
 H                 -1.26496100    2.82719800    9.32988500
 H                 -2.32458800    3.37508100    8.00360900
 H                 -0.84247200    4.30449300    8.41573400
 C                 -1.27988300   10.43291100    7.72715200
 H                 -1.23342500   10.82966700    8.75867400
 H                 -2.21606600    9.85586100    7.64314100
 C                 -1.31496700   11.60399900    6.72114400
 C                  0.05516300   12.33227500    6.84129700
 H                  0.21983600   12.93689600    5.93493700
 H                  0.02978400   13.02241600    7.70337100
 C                  1.17376800   11.32740200    6.99066200
 H                  1.66464000   11.01260600    6.06501400
 C                  1.78791000   10.95605800    8.17316700
 C                  1.34363100   11.41316400    9.53801700
 H                  1.02432100   10.54170800   10.14048000
 H                  2.19896800   11.86598800   10.07249500
 H                  0.52140700   12.14365400    9.51987600
 C                  3.00034900   10.06307300    8.16788900
 H                  3.82387400   10.55581500    8.71795600
 H                  2.78391800    9.11664700    8.69777100
 H                  3.34539000    9.81719900    7.15258400
 C                  2.93191400    5.77932100    6.32284300
 H                  3.26379100    4.79084600    6.65763200
 C                  3.16225900    7.69332000    4.84100100
 H                  3.67025300    8.21186500    4.02030300
 C                  2.05449200    8.29286200    5.45263900
 H                  1.68793900    9.25649700    5.10093800
 C                 -1.50553000   11.05803200    5.28247100
 H                 -0.63878300   10.43141200    4.99350800
 H                 -2.40177100   10.41035000    5.24382900
 C                 -2.45843700   12.55881700    7.08501200
 H                 -2.30905500   12.95024500    8.11695000
 H                 -2.45315200   13.42489200    6.38878300
 O                 -1.59940700   12.13863500    4.35435800
 C                 -2.89281600   12.26876600    3.75921300
 H                 -2.86384700   13.18023600    3.14311000
 H                 -3.12233200   11.40727800    3.09876300
 H                 -3.68805700   12.35595300    4.52494600
 O                 -3.69260200   11.84454500    6.99828100
 C                 -4.80958400   12.66918300    7.33112100
 H                 -5.71024600   12.04144800    7.24091100
 H                 -4.73615600   13.05520700    8.36991200
 H                 -4.89677500   13.53394800    6.63963500
 C                  0.61749907    4.66892178    2.31297816
 C                  0.29728823    4.49173748    0.84265857
 C                  1.72786409    3.73455455    2.74954495
 H                 -0.30209546    4.46550795    2.92218916
 C                 -0.03945834    3.04997420    0.52099636
 H                  1.17843472    4.81455215    0.22805672
 H                 -0.56651420    5.14990420    0.56464047
 C                  1.39073399    2.29269985    2.42860452
 H                  2.68052759    4.01938389    2.23026528
 H                  1.89919095    3.84375297    3.85188986
 C                  1.06914350    2.11481360    0.95878237
 H                 -0.20924806    2.94092522   -0.58162106
 H                 -0.99315690    2.76558913    1.03864764
 H                  2.25466715    1.63457726    2.70616543
 H                  0.51010773    1.97026324    3.04423606
 H                  0.76278621    1.05367491    0.76714276
 H                  1.98888658    2.31562087    0.34878645
 C                 -0.26139568    9.35264033    1.72547822
 C                  1.12802394    9.77721224    1.29533784
 C                 -1.32758250   10.05746143    0.91122025
 H                 -0.40435310    9.59028993    2.81233386
 C                  1.29071700   11.28207555    1.36214777
 H                  1.31585328    9.42841407    0.24585041
 H                  1.89108719    9.28759867    1.95461410
 C                 -1.16535595   11.56236429    0.97870636
 H                 -1.26253262    9.72280420   -0.15747986
 H                 -2.34204974    9.77161484    1.29278210
 C                  0.22413578   11.98774067    0.54997710
 H                  2.30474046   11.56760651    0.97911526
 H                  1.22764001   11.61666670    2.43100170
 H                 -1.92807460   12.05198145    0.31909951
 H                 -1.35424689   11.91057607    2.02824861
 H                  0.33171881   13.09685348    0.67200378
 H                  0.36721476   11.75273816   -0.53751918

36 74 F

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

Au 0
SDD

--link--
%nproc=20
%Mem=40000MB
%Chk=IE9_Cy_OMe_4+2_D_TS200_100
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt=(ts, noeigentest,calcfc,modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

36 74 A

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

Au 0
SDD


