%nproc=12
%Mem=20000MB
%Chk=IE14_TSInt1a-2a_oriB2_less2
#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                -0.18790500    7.82610900    7.52882700
 C                 -2.22248900    4.83198300    7.68113100
 C                 -3.06098200    3.97314400    8.42352300
 C                 -3.89609400    3.03560800    7.80365900
 C                 -3.90653900    2.92349000    6.40579200
 C                 -3.06932100    3.75194000    5.65494200
 C                 -2.22368200    4.71164800    6.26036600
 C                 -1.36958400    5.50377900    5.32952000
 C                 -0.43285600    4.82964700    4.51789300
 C                  0.32213300    5.52803400    3.56068300
 C                  0.15072700    6.91371700    3.39421300
 C                 -0.77283700    7.58910800    4.21865800
 C                 -1.53562100    6.89776700    5.16763000
 C                  1.57094700    8.79459900    2.59006900
 C                  1.39550900    9.69723700    1.33358300
 C                  0.83274600    8.75227600    0.24923600
 C                  0.03111600    7.68320800    1.01763300
 C                  3.03372500    8.44965600    2.87225500
 C                  3.87512700    9.40760200    3.46467400
 C                  5.22474800    9.10996100    3.71905300
 C                  5.76141700    7.85884500    3.38413700
 C                  4.92237600    6.90994400    2.78505900
 C                  3.57065100    7.19701400    2.53541300
 C                  6.05310800   10.10855200    4.47355900
 C                  5.44792700    5.52501600    2.49515500
 C                 -1.43924100    7.97888400    1.31076000
 C                 -2.27353900    6.88192300    1.60875600
 C                 -3.52767400    7.07111400    2.20341700
 C                 -3.99533900    8.36302500    2.48534200
 C                 -3.18847000    9.45933200    2.14788600
 C                 -1.92501500    9.27394500    1.56241400
 C                 -4.35898500    5.89577400    2.65616600
 C                 -3.63266300   10.83806500    2.56721800
 C                  0.38869200    4.81371600    9.09400400
 C                 -2.03306800    6.63350200   10.14995400
 P                 -1.07586000    5.95249500    8.62157700
 N                  0.79845900    7.57383000    2.30335300
 F                  7.38351200    9.90536500    4.36666700
 F                  5.75020400   10.00602500    5.83480900
 F                  5.78225300   11.39138800    4.12705100
 F                  6.79474100    5.51382000    2.29873500
 F                  4.86095100    4.97353900    1.39772200
 F                  5.19153500    4.67791000    3.54637200
 F                 -4.55470700    5.93713900    4.01130400
 F                 -3.77058500    4.69685000    2.37212900
 F                 -5.59553200    5.89214000    2.08339900
 F                 -2.97063200   11.82736700    1.89889900
 F                 -4.96550300   11.03268000    2.38705000
 F                 -3.38352400   11.03744700    3.90690400
 H                  1.17920300    9.33167000    3.47892300
 H                  2.34409100   10.16749200    1.02752800
 H                  0.69391100   10.51333900    1.57305500
 H                  1.66073600    8.25488500   -0.28422200
 H                  0.21566400    9.27553700   -0.49962900
 H                  0.08351600    6.70678500    0.50408600
 H                 -3.05118500    4.00515900    9.51197200
 H                 -4.55579300    2.19453000    5.91292200
 H                 -3.07919800    3.68729300    4.56380100
 H                 -0.30723000    3.74756600    4.63076400
 H                  1.02234400    4.99282600    2.91161900
 H                 -2.33907200    7.41670900    5.70402600
 H                 -0.95299500    8.65228800    4.05532900
 H                  3.47567700   10.39389900    3.72145200
 H                  2.91218000    6.45776100    2.07530200
 H                  6.80822900    7.62857100    3.59366600
 H                 -4.96297000    8.51302800    2.97207500
 H                 -1.31078800   10.15128800    1.34822200
 H                 -1.90499700    5.86509200    1.44617000
 C                  1.92516500    9.31572100    7.78205700
 C                  0.91561300    9.52864700    6.98911800
 C                 -1.26813000    7.88910400   10.64818000
 H                 -0.21222700    7.67709000   10.87870000
 H                 -1.29193800    8.71015700    9.90883400
 H                 -1.75095900    8.25141200   11.57373800
 C                 -2.17896300    5.67280300   11.35187700
 H                 -2.71730300    4.73957600   11.12520600
 H                 -1.20220500    5.40898200   11.78936900
 H                 -2.76064700    6.19162100   12.13653000
 C                 -3.41911900    7.08524300    9.63246700
 H                 -3.31977800    7.74661000    8.75138300
 H                 -4.06857500    6.23830700    9.35686900
 H                 -3.92672000    7.66144500   10.42996200
 C                  1.30134100    5.56048100   10.08804300
 H                  1.57677500    6.56098900    9.70988400
 H                  0.84176300    5.67620000   11.08375000
 H                  2.23821900    4.99009700   10.21454100
 C                 -0.06542300    3.46207000    9.68034900
 H                  0.83389000    2.86645200    9.92398500
 H                 -0.65058500    3.57492400   10.60667200
 H                 -0.66472300    2.88239300    8.95823500
 C                  1.17206600    4.56276700    7.78257400
 H                  2.03599200    3.90903700    8.00624400
 H                  0.55345400    4.05659700    7.02227400
 H                  1.56111500    5.50047300    7.34573300
 C                 -4.81932000    2.19372800    8.65038600
 F                 -5.12567900    1.01098500    8.04720800
 F                 -6.00071100    2.83826200    8.89186800
 F                 -4.27091400    1.90748900    9.86792500
 C                  0.82583800   10.57451400    5.97927000
 C                 -0.30448400   10.84855700    5.18242100
 C                 -0.22971900   11.81366200    4.16649500
 H                 -1.23598500   10.30936600    5.36901700
 C                  0.96786200   12.50920000    3.93106800
 H                 -1.11063200   12.02092800    3.55263700
 H                  1.02516400   13.24873000    3.12726700
 C                  2.01549700   11.32560200    5.77060300
 C                  2.09210000   12.27808200    4.74518400
 H                  3.02471400   12.83128600    4.59448100
 C                  2.80653300    8.76150600    8.70808600
 C                  3.78716400    7.78303300    8.28035900
 C                  2.62709900    9.05850700   10.08613300
 C                  3.96857600    7.43113800    6.91706300
 C                  4.55652300    7.10644800    9.28913200
 C                  3.39810900    8.37585200   11.06420900
 C                  4.86741000    6.42558300    6.56823600
 H                  3.38300600    7.93603200    6.14349200
 C                  5.48267600    6.09842400    8.89810800
 C                  4.33353800    7.43353500   10.66209800
 H                  3.26221900    8.58959400   12.12546400
 C                  5.63364300    5.75884300    7.56034100
 H                  4.97710800    6.13735900    5.51810300
 H                  6.06712200    5.58658400    9.67291300
 H                  4.92102700    6.91228200   11.42362000
 H                  6.33737800    4.97536500    7.26618900
 O                  1.66557700    9.96378300   10.36323700
 C                  1.31336000   10.21017100   11.74271500
 H                  2.17023400   10.62776700   12.29514200
 H                  0.50113400   10.94590000   11.70125500
 H                  0.95934000    9.28533300   12.22747300
 N                  3.10433400   11.06283100    6.67585700
 H                  3.92508900   10.61053600    6.24605900
 O                  4.71147100   13.10493300    6.76302000
 O                  2.43124900   13.18668700    7.97519100
 C                  6.30785200   10.13167700   12.56824700
 H                  6.01694800    9.06907500   12.67362400
 H                  7.41185200   10.15951800   12.49928000
 H                  6.00099100   10.65749800   13.48617700
 S                  3.64939600   12.44797700    7.57733600
 C                  4.40905800   11.71997400    9.03201500
 C                  5.52102300   10.87038800    8.89542600
 H                  5.91322700   10.60423300    7.91278400
 C                  6.12589900   10.36455600   10.05053600
 H                  6.97374700    9.67867400    9.95359600
 C                  5.66410100   10.72531600   11.33754300
 C                  4.57337100   11.61225100   11.43517600
 H                  4.22071900   11.92253900   12.42650800
 C                  3.92529900   12.09992800   10.29240400
 H                  3.06212900   12.76434300   10.37166400

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

Au 0
SDD


