%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1b-2b_oriB2
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt=(modredundant) temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
Au                 0.09504100    7.45541000    7.60677200
 C                 -2.17375000    4.66610700    7.68311100
 C                 -3.03662400    3.86386200    8.45923600
 C                 -4.10846200    3.16052200    7.89472400
 C                 -4.34433800    3.23678500    6.51524000
 C                 -3.48231800    4.00212400    5.72537400
 C                 -2.39183700    4.72147500    6.27112900
 C                 -1.52729100    5.41549900    5.27055400
 C                 -0.88868300    4.62123100    4.29111500
 C                 -0.15029700    5.20338600    3.25539300
 C                 -0.04663700    6.60587800    3.15927800
 C                 -0.67616600    7.40308700    4.13357300
 C                 -1.41321500    6.81878200    5.17595200
 C                  1.36009900    8.39059200    2.10081300
 C                  1.57219400    8.82957700    0.61158300
 C                  0.61713900    7.93338700   -0.22596700
 C                 -0.33924000    7.29468300    0.79793600
 C                  2.70100000    8.13562100    2.76894700
 C                  3.41462600    9.19609700    3.35212100
 C                  4.72854800    8.99237500    3.80886800
 C                  5.34130600    7.73554600    3.70435000
 C                  4.60760700    6.66982400    3.16129400
 C                  3.30142500    6.86483100    2.69344100
 C                  5.48948500   10.10237900    4.47908000
 C                  5.27312800    5.31741900    3.06138000
 C                 -1.57500100    8.11616400    1.16089700
 C                 -2.64833800    7.47505100    1.81081500
 C                 -3.70423100    8.21724400    2.36366900
 C                 -3.72857600    9.61418600    2.25814700
 C                 -2.67864300   10.25534800    1.58137500
 C                 -1.61328400    9.51812700    1.04161900
 C                 -4.80606700    7.47534600    3.08178300
 C                 -2.71778300   11.75212500    1.38527400
 C                  0.60437900    4.20292200    8.64932000
 C                 -1.40923200    6.07416200   10.30837800
 P                 -0.77908500    5.51978000    8.56710200
 N                  0.56424300    7.15654200    1.98934600
 F                  6.80116900   10.12206500    4.15483000
 F                  5.44512000    9.92806600    5.87098400
 F                  4.96398700   11.32970800    4.24256500
 F                  6.27766600    5.32056500    2.13878900
 F                  4.40317800    4.33223200    2.71688600
 F                  5.84649700    4.95760500    4.25558500
 F                 -4.29423800    6.58421700    3.98962000
 F                 -5.56937500    6.74852100    2.21504000
 F                 -5.63923900    8.31036300    3.76131600
 F                 -1.46132100   12.28798500    1.29387000
 F                 -3.38137400   12.10266100    0.24923700
 F                 -3.34536600   12.38056200    2.42641200
 H                  0.82898800    9.20323900    2.64529700
 H                  2.62182100    8.67847700    0.31050900
 H                  1.35984600    9.90576900    0.50562500
 H                  1.18896400    7.13011300   -0.71760800
 H                  0.08021600    8.49147900   -1.01030500
 H                 -0.65930700    6.28263400    0.49541800
 H                 -2.87089600    3.76089800    9.53104200
 H                 -5.18080200    2.69670800    6.06317900
 H                 -3.65420700    4.06863600    4.64707400
 H                 -0.98176600    3.53105900    4.34346700
 H                  0.32728100    4.58127100    2.49068900
 H                 -1.99936300    7.45720100    5.84627700
 H                 -0.64920900    8.48961400    4.03798900
 H                  2.95270200   10.18490500    3.42540200
 H                  2.73562600    6.04101900    2.25204100
 H                  6.36814000    7.58605000    4.04969900
 H                 -4.54335000   10.19263600    2.69877200
 H                 -0.80656100   10.05644300    0.53965200
 H                 -2.63992200    6.38590200    1.92612900
 C                  2.08743800    9.36991800    7.81973200
 C                  0.94835500    9.28181000    7.15437800
 C                 -0.44533100    7.18093000   10.81174800
 H                  0.60302600    6.85173700   10.88223600
 H                 -0.46935800    8.07172700   10.16272900
 H                 -0.76531700    7.49400400   11.82329900
 C                 -1.47189200    4.98403100   11.40166100
 H                 -2.11142100    4.12166400   11.15639500
 H                 -0.46908200    4.60484900   11.65855800
 H                 -1.89150700    5.44437300   12.31566000
 C                 -2.79610900    6.72611400   10.09135500
 H                 -2.76101300    7.48077000    9.28343500
 H                 -3.58433000    5.99596600    9.84676900
 H                 -3.09189400    7.24380600   11.02274700
 C                  1.78730200    4.77027500    9.46612700
 H                  2.12531400    5.74883400    9.07835600
 H                  1.54720900    4.88607800   10.53627300
 H                  2.63769100    4.06647700    9.39309200
 C                  0.13196300    2.85313800    9.22695200
 H                  0.96285700    2.12732900    9.14873100
 H                 -0.15083200    2.91582700   10.28865800
 H                 -0.72323400    2.44438400    8.66136400
 C                  1.05836400    3.98652700    7.18582300
 H                  1.93031300    3.30573100    7.18126500
 H                  0.26633300    3.51903500    6.57890600
 H                  1.35208400    4.93199700    6.69464600
 C                 -5.03303600    2.38562600    8.80081800
 F                 -4.35844300    1.81636800    9.84342400
 F                 -5.68511500    1.39107700    8.13762800
 F                 -5.98760900    3.19831800    9.34764600
 C                  0.68614900   10.30122500    6.14336800
 C                 -0.48703300   10.49228500    5.39806800
 C                 -0.51625800   11.47203900    4.39209200
 H                 -1.36992300    9.88112300    5.61613800
 C                  0.62067700   12.25386200    4.11916300
 H                 -1.43673000   11.63499000    3.82937300
 H                  0.58972700   12.99301800    3.31327500
 C                  1.79694400   11.15052700    5.91050400
 C                  1.79108800   12.10940400    4.89120100
 H                  2.67003700   12.73580900    4.71763500
 C                  2.84000700    8.86585000    8.92108200
 C                  2.44439200    9.19637700   10.26765000
 C                  3.89860600    7.95722000    8.69013500
 C                  1.38904000   10.10831300   10.54769200
 C                  3.13638800    8.57694800   11.36580100
 C                  4.57666800    7.35725500    9.78728200
 C                  1.03313400   10.39370200   11.85980200
 H                  0.87139400   10.59203800    9.71372900
 C                  2.75409900    8.89650300   12.70117200
 C                  4.19473200    7.66559000   11.08391800
 H                  5.39517400    6.65492400    9.61997900
 C                  1.71965100    9.78887100   12.94681300
 H                  0.22036800   11.10041900   12.05828400
 H                  3.29196100    8.42436400   13.53094600
 H                  4.72232900    7.19607600   11.92197500
 H                  1.43249200   10.02962200   13.97534200
 O                  4.17625000    7.69035100    7.38782600
 C                  5.09548500    6.61670900    7.09712800
 H                  4.77761000    5.68215700    7.59426900
 H                  5.05611400    6.48173100    6.01141100
 H                  6.12506800    6.88048400    7.39892600
 N                  2.86495700   10.93612200    6.86252800
 H                  3.74280000   10.56177300    6.45839600
 O                  4.21893200   13.19081800    6.82774700
 O                  1.99576900   13.06891600    8.14141900
 C                  6.16383800   10.36801700   12.66910500
 H                  5.97938700   10.98497600   13.56398300
 H                  5.76497200    9.35641100   12.87539300
 H                  7.25322100   10.26736500   12.52600000
 S                  3.29298000   12.48513500    7.74596900
 C                  4.16145800   11.88324500    9.17416600
 C                  5.29501200   11.06744000    9.00694000
 H                  5.65882000   10.79861900    8.01226200
 C                  5.94183900   10.59286200   10.15262900
 H                  6.80994700    9.93463200   10.04288500
 C                  5.49108400   10.94172600   11.44613900
 C                  4.37521900   11.79362100   11.57104000
 H                  4.01001900   12.06538500   12.56611900
 C                  3.68965500   12.25854500   10.44213300
 H                  2.80174600   12.88743300   10.53811400

69 130 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1b-2b_oriB2
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt=(ts, noeigentest,calcfc,modredundant) temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

69 130 A

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

Au 0
SDD



