%nproc=20
%Mem=40000MB
%Chk=IE13_TSInt1b-2b_2Me_6_less
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp temperature=273.15 opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 P                  8.05081200   12.87657700    8.32501500
 Fe                 8.12442500   17.43767100   10.90097500
 Au                 8.41313800   14.77898700    6.98723000
 C                  7.80760200   11.94561300   10.95667900
 H                  7.39417300   11.04707400   10.49346200
 C                  8.09936100   11.91872800   12.32547300
 H                  7.88744000   11.01840500   12.91096800
 C                  8.69267500   13.04300800   12.92322900
 H                  8.97231800   13.02712300   13.98188100
 C                  8.88880800   14.20247200   12.16686900
 H                  9.29551500   15.10408300   12.63512100
 C                  8.63031500   15.58806200   10.12351200
 C                  9.43764700   17.63832500    9.36922600
 H                 10.10436400   18.48949500    9.23245500
 C                  9.76497100   16.47720000   10.14044700
 H                 10.70615700   16.29413600   10.66108800
 C                  7.52820800   17.21532200   12.86349000
 H                  7.47621200   16.26566400   13.39748000
 C                  7.59726400   16.22721500    9.34022200
 H                  6.60321100   15.81293800    9.20223400
 C                  8.08412400   17.50874200    8.85314200
 C                  8.31664800   19.19570100   11.92612800
 H                  8.97662900   20.01063000   11.62389600
 C                  8.67331400   18.08253000   12.76959300
 H                  9.65112700   17.90943300   13.22278200
 C                  6.95298000   19.01122700   11.50129400
 H                  6.40871000   19.65733000   10.80903800
 C                  8.20434900   19.61382300    7.54494000
 H                  9.24747500   19.68169500    7.86269300
 C                  7.42352700   18.51439700    7.98634800
 C                  6.46686700   17.78655100   12.08215900
 H                  5.47407100   17.35488100   11.96021500
 C                  5.57373600   19.47415800    6.68303700
 H                  4.53783600   19.39386700    6.33598300
 C                  6.36321700   20.55704900    6.27735200
 H                  5.94759500   21.33126000    5.62484700
 C                  6.07801100   18.44862800    7.51543600
 C                  4.57900800   17.11969700    9.06347600
 H                  4.90748000   17.74686000    9.89381300
 C                  5.12876900   17.32739600    7.78755700
 C                  3.64630700   16.09171900    9.27571100
 C                  3.74192300   15.50722100    6.93614200
 C                  3.19888500   15.29475900    8.21192300
 H                  2.46849100   14.50114800    8.38385000
 C                  7.69867100   20.61570500    6.70872500
 H                  8.35031600   21.43929900    6.39645900
 C                  4.70774100   16.50307100    6.72457400
 H                  5.14252700   16.63962100    5.73156700
 C                  3.24529100   15.75953200   10.68964800
 C                  3.26517600   14.68482300    5.76331800
 F                  4.21605200   14.99035900   11.28655700
 F                  3.11099700   16.87821700   11.46356100
 F                  2.08189800   15.06281700   10.76078800
 F                  2.19633100   15.26299200    5.13916400
 F                  4.23755200   14.53836000    4.81551600
 F                  2.87392200   13.43143000    6.14641700
 C                  9.57798200   11.74842200    8.03744200
 C                  9.71121200   11.51992400    6.51539500
 H                  9.77069200   12.47178600    5.95925000
 H                 10.63742000   10.95012600    6.31612300
 H                  8.86779800   10.93444900    6.10905000
 C                 10.78736500   12.55416300    8.57435000
 H                 10.83682300   13.58101900    8.17056800
 H                 10.76483700   12.62858800    9.67556700
 H                 11.71920300   12.03362000    8.28580400
 C                  9.56154600   10.38519500    8.76171700
 H                 10.50541300    9.86078700    8.52024600
 H                  9.52368300   10.50009100    9.85698800
 H                  8.73323300    9.73482600    8.44395100
 C                  6.37338900   12.09796100    7.81817400
 C                  6.12642700   12.44402600    6.32942300
 H                  5.14248900   12.04169900    6.02822500
 H                  6.10705300   13.53364400    6.15706400
 H                  6.89282000   12.00719800    5.66786700
 C                  6.25425300   10.56917200    7.98156300
 H                  5.22720400   10.27207900    7.69766900
 H                  6.94768300   10.02908700    7.31648100
 H                  6.41454600   10.22187500    9.01472400
 C                  5.31459300   12.81701300    8.68040400
 H                  4.31017400   12.57994000    8.28572900
 H                  5.35489600   12.51718500    9.74012500
 H                  5.43633800   13.91191600    8.62941500
 C                  8.05807500   13.09102200   10.16120300
 C                  8.52808500   14.27576600   10.80073100
 C                  8.86050300   16.20124800    5.46973900
 C                  7.81834400   16.33250500    4.43722400
 C                  7.50749800   15.26994300    3.54201700
 C                  6.38491600   15.40768000    2.70669000
 C                  5.91821400   17.61170600    3.57254700
 C                  5.55357800   16.54555800    2.72613200
 H                  6.13294500   14.57933300    2.03183400
 H                  5.30876300   18.52237900    3.60510800
 C                 10.04123300   16.74835200    5.67064000
 C                 11.19784400   16.60376600    6.60058300
 H                 11.52022200   17.58063000    7.00420100
 H                 10.88283000   16.00375000    7.47037200
 C                 12.36283400   15.93585500    5.83706300
 C                 12.57346500   16.78865200    4.54454500
 H                 13.24698600   17.63558900    4.76384900
 H                 13.06431800   16.16672400    3.77788700
 C                 13.63215900   15.93050300    6.71236300
 H                 13.88747200   16.97356100    6.98847800
 H                 14.47919600   15.50733000    6.14039400
 C                 11.97573200   14.49604800    5.45354600
 H                 11.06659600   14.49545300    4.81613500
 H                 11.73004700   13.92247200    6.36857900
 O                 13.06826300   13.89614800    4.75851000
 O                 13.40564300   15.20031800    7.92514200
 C                 12.78308700   12.54186400    4.41458800
 H                 13.63964000   12.16778900    3.83154300
 H                 12.65701100   11.91153400    5.32046800
 H                 11.85927800   12.46063200    3.80212900
 C                 14.10375200   13.95156900    7.98349500
 H                 13.79399300   13.46217000    8.92034500
 H                 13.85256000   13.29610000    7.12662400
 H                 15.20309900   14.10207300    8.00014400
 C                 11.24422900   17.29328500    4.02209700
 H                 10.75842600   16.71528200    3.22630600
 C                 10.70473400   18.54931100    4.30499800
 C                 11.33121800   19.54847000    5.24159500
 H                 12.25971900   19.20621900    5.72072300
 H                 11.55544400   20.47316500    4.67784500
 H                 10.60676300   19.83034900    6.02646900
 C                  9.57266300   19.10497000    3.48181200
 H                 10.01013700   19.84192500    2.77867400
 H                  9.04577800   18.33742100    2.89675000
 H                  8.84658500   19.65221200    4.10588900
 C                  4.27151500   16.58555700    1.92637500
 H                  4.34674900   15.99609600    0.99580700
 H                  3.44591600   16.15426400    2.52451700
 H                  3.98469900   17.61831800    1.66239200
 C                  7.02821300   17.49932600    4.41783100
 H                  7.28225400   18.31058400    5.10173800
 C                  8.35350500   14.01966800    3.49359600
 H                  9.41440800   14.25324700    3.28837400
 H                  8.33285100   13.49493700    4.46836100
 H                  7.99877200   13.31965200    2.71830100

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

Au Fe 0
SDD


