%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1a-2a_S3S10_more2
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                 0.37873500    6.84073800    7.38286200
 C                 -2.03589600    4.37605100    7.58262100
 C                 -2.98301600    3.92793000    8.52638300
 C                 -4.32253800    3.69950100    8.18278500
 C                 -4.74422900    3.83879900    6.85464900
 C                 -3.81243800    4.23899900    5.89437900
 C                 -2.47461700    4.54560700    6.22914400
 C                 -1.64549700    5.08126400    5.11171600
 C                 -1.24119700    4.28133100    4.02229800
 C                 -0.43605600    4.81239900    3.01033000
 C                 -0.06662100    6.17896100    3.02576600
 C                 -0.56165700    7.00211100    4.05528300
 C                 -1.33030500    6.44958900    5.08529200
 C                  1.40929800    7.99312300    2.17216500
 C                  2.22468800    8.13354900    0.85738200
 C                  1.44691400    7.27328000   -0.18568500
 C                  0.26977600    6.64178300    0.59395100
 C                  2.21191000    8.14404100    3.45176900
 C                  2.40418200    9.43513000    3.96410300
 C                  3.10098200    9.63812200    5.16561800
 C                  3.62152100    8.55236500    5.87332200
 C                  3.42099200    7.25624800    5.36770300
 C                  2.73294700    7.04536300    4.16365600
 C                  3.20752300   11.04596000    5.69609400
 C                  3.98936800    6.09951600    6.14862600
 C                 -1.05938800    7.40369100    0.55169400
 C                 -2.22071200    6.75095200    1.01354200
 C                 -3.40541100    7.46398900    1.25391600
 C                 -3.48245200    8.83467200    0.97871100
 C                 -2.33966000    9.48742000    0.48947100
 C                 -1.13840800    8.78619000    0.28683700
 C                 -4.54838200    6.73536000    1.91920500
 C                 -2.41293500   10.96540400    0.18942000
 C                  0.69657400    3.13871400    7.72540400
 C                 -0.29469800    5.00410100   10.08914300
 P                 -0.28687400    4.72565100    8.16547000
 N                  0.78173700    6.67486200    2.00645900
 F                  1.96573800   11.57253000    5.91033900
 F                  3.83056200   11.87130200    4.80150100
 F                  3.89221700   11.11694400    6.86896600
 F                  5.35067800    6.07496300    6.10151800
 F                  3.54305800    4.89261800    5.70498800
 F                  3.65550300    6.18333000    7.48562500
 F                 -4.20749600    6.37239900    3.19981100
 F                 -4.87599700    5.58843600    1.26513900
 F                 -5.67456200    7.50135100    2.01308600
 F                 -1.18410700   11.55823100    0.22847900
 F                 -2.95081700   11.22303500   -1.03130900
 F                 -3.19886000   11.62149900    1.11194400
 H                  0.63702200    8.79732300    2.18362500
 H                  3.24143000    7.73645200    1.01100800
 H                  2.31659700    9.19326700    0.56826100
 H                  2.09090400    6.47055100   -0.57717700
 H                  1.09591500    7.85762600   -1.05132200
 H                  0.09572700    5.59354300    0.30082700
 H                 -2.69324800    3.75532600    9.56140300
 H                 -5.78771900    3.65944200    6.58096100
 H                 -4.12876200    4.38901600    4.85762200
 H                 -1.52616500    3.22415200    3.98826800
 H                 -0.08133400    4.16749000    2.19958500
 H                 -1.75896100    7.09914700    5.84770400
 H                 -0.33800600    8.07027800    4.08164000
 H                  1.99857800   10.29663000    3.42724400
 H                  2.57378800    6.03079500    3.79056700
 H                  4.15286300    8.71103200    6.81314600
 H                 -4.40467800    9.38980500    1.16513100
 H                 -0.26256100    9.33530800   -0.07000300
 H                 -2.19362900    5.68020900    1.23303000
 C                 -0.56704300    9.61840200    7.04688300
 C                  0.46340800    8.92357700    7.50411900
 C                  1.06098600    5.66891800   10.46157000
 H                  1.93803900    5.07935900   10.15881400
 H                  1.15672400    6.67451600   10.01630700
 H                  1.09535500    5.78108400   11.56163700
 C                 -0.45121100    3.72944700   10.95008100
 H                 -1.34708000    3.13149000   10.71929300
 H                  0.42647200    3.06884800   10.86732800
 H                 -0.52924500    4.03625100   12.00964800
 C                 -1.39468300    6.03327800   10.44389600
 H                 -1.29019700    6.94522100    9.83340900
 H                 -2.41818000    5.65092800   10.31901300
 H                 -1.27221800    6.32197300   11.50431100
 C                  2.09312600    3.18762700    8.37896900
 H                  2.63658300    4.11067500    8.12080000
 H                  2.05196100    3.08613800    9.47505400
 H                  2.68291800    2.33400700    7.99573000
 C                 -0.05877900    1.85709100    8.14052200
 H                  0.50763400    0.98337700    7.76694100
 H                 -0.15461700    1.74769100    9.23098500
 H                 -1.06856000    1.81697600    7.69685600
 C                  0.86397900    3.13357400    6.19162500
 H                  1.58030400    2.33728100    5.91537000
 H                 -0.08916800    2.90994600    5.69357000
 H                  1.24515400    4.09134000    5.80207600
 C                 -5.33504500    3.45799600    9.27046000
 F                 -4.79832400    2.84201200   10.36096200
 F                 -6.38731600    2.70749700    8.84343000
 F                 -5.85409000    4.65537900    9.70811900
 C                  1.34527600    9.61948300    8.44879900
 C                  2.53997300    9.13521500    9.00772900
 C                  3.28008400    9.95298400    9.87612300
 H                  2.88450300    8.13224900    8.73910900
 C                  2.82016100   11.23858500   10.21186400
 H                  4.22260000    9.58562000   10.29492900
 H                  3.40033800   11.86825400   10.89354600
 C                  0.88569200   10.90718200    8.81953900
 C                  1.60175100   11.72319300    9.69993400
 H                  1.21948100   12.70278100    9.99926000
 C                 -1.75659600    9.59162100    6.26267400
 C                 -2.92332600    8.85732400    6.70789800
 C                 -1.73636600   10.14966200    4.96204200
 C                 -2.99790700    8.25117300    7.99151300
 C                 -4.00367000    8.63362700    5.78117200
 C                 -2.83253000    9.96009800    4.07981000
 C                 -4.06344200    7.42181700    8.32537600
 H                 -2.18440600    8.42200100    8.70219900
 C                 -5.08536200    7.78381900    6.15312500
 C                 -3.92523700    9.21412600    4.48286400
 H                 -2.81546500   10.39717800    3.08307100
 C                 -5.11157200    7.17678800    7.40116900
 H                 -4.09414400    6.93778500    9.30603600
 H                 -5.87734900    7.59472100    5.42009500
 H                 -4.75122000    9.04846700    3.78407900
 H                 -5.92300800    6.49795300    7.67890200
 O                 -0.61148000   10.82763400    4.62160100
 C                 -0.51045100   11.36412300    3.28898300
 H                 -1.34769300   12.04285100    3.05724000
 H                  0.43010500   11.93133400    3.28142800
 H                 -0.47532100   10.55411900    2.53888900
 N                 -0.40129100   11.20922400    8.22163000
 H                 -1.16248200   10.93880800    8.86951800
 O                 -1.15979200   13.52220600    9.20302000
 O                  0.43859900   13.51798000    7.17587600
 C                 -5.43658600   12.44624600    4.06000500
 H                 -6.03186000   13.37348700    3.96342800
 H                 -5.04773100   12.19977900    3.05671100
 H                 -6.11644500   11.63883400    4.37811100
 S                 -0.73675900   12.98507500    7.88653200
 C                 -2.13891700   12.86505200    6.79860900
 C                 -3.31678600   12.24128500    7.24658900
 H                 -3.40150500   11.84145200    8.26151100
 C                 -4.38706400   12.11870300    6.35303100
 H                 -5.29149300   11.59145900    6.67239900
 C                 -4.30396000   12.63200900    5.04116800
 C                 -3.12629600   13.30529400    4.64836100
 H                 -3.05843800   13.72323000    3.63781100
 C                 -2.02839400   13.40994000    5.50968400
 H                 -1.09694200   13.88383100    5.18999400

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

Au 0
SDD


