%nproc=12
%Mem=20000MB
%Chk=IE13_TSInt1a-2a_2Me_4_more5
#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                  8.03463905   12.93952912    8.54799982
 Fe                 7.70329739   17.49686671   11.08866170
 Au                 8.43800125   14.74225147    7.10190309
 C                  8.15065425   12.07947154   11.18875088
 H                  7.80047286   11.13541426   10.76828956
 C                  8.50334264   12.10976303   12.54084401
 H                  8.41319138   11.20473954   13.14972600
 C                  8.98806291   13.30726097   13.09306195
 H                  9.30563269   13.34996098   14.14015041
 C                  9.01938926   14.46208714   12.30921681
 H                  9.32401410   15.41166164   12.75964251
 C                  8.55307236   15.79219212   10.27912399
 C                  9.10694046   17.98964436    9.72623312
 H                  9.62950128   18.94501204    9.71488311
 C                  9.52985560   16.84072446   10.46419379
 H                 10.42973544   16.76973545   11.07715632
 C                  7.01975936   17.06090517   12.98181505
 H                  7.09289331   16.08120469   13.45636190
 C                  7.51589617   16.32968261    9.41880251
 H                  6.59979742   15.80992429    9.15154483
 C                  7.86208661   17.69079793    9.04161714
 C                  7.53841904   19.19664563   12.21291913
 H                  8.07715443   20.12243194   12.00387970
 C                  8.01273110   18.10184827   13.02167428
 H                  8.97632038   18.05242387   13.53211270
 C                  6.25450923   18.82719121   11.67607143
 H                  5.66089897   19.42854251   10.98395308
 C                  7.90895957   19.81345972    7.76534800
 H                  8.94211121   19.93582369    8.10211515
 C                  7.18334451   18.64874519    8.13621838
 C                  5.93444200   17.50659154   12.15399471
 H                  5.03940089   16.92863954   11.93074527
 C                  5.34630204   19.50384835    6.75312392
 H                  4.34242607   19.35785228    6.34006910
 C                  6.06195522   20.66662239    6.44437280
 H                  5.61600875   21.43538781    5.80509410
 C                  5.88019630   18.48788393    7.57691945
 C                  4.38834050   17.01774925    9.00115107
 H                  4.65276279   17.62037437    9.87029278
 C                  4.99053412   17.30049297    7.76108358
 C                  3.44931026   15.98255968    9.11863625
 C                  3.66122433   15.50859456    6.76237856
 C                  3.06940657   15.22511540    7.99991747
 H                  2.32656528   14.43082418    8.09354057
 C                  7.36649126   20.80681132    6.94137468
 H                  7.96985749   21.68461484    6.68685329
 C                  4.61764615   16.53128961    6.63966069
 H                  5.05624216   16.75133532    5.66338203
 C                  2.89469770   15.65612724   10.48266941
 C                  3.23529837   14.76340227    5.51916006
 F                  3.79931246   14.92562921   11.21822564
 F                  2.63918290   16.78431327   11.20835016
 F                  1.75030761   14.92764487   10.42381286
 F                  2.58163614   15.58887968    4.64766133
 F                  4.30541798   14.25271394    4.83583210
 F                  2.40585361   13.72005075    5.79874405
 C                  9.41775635   11.69400009    8.05667342
 C                  9.22674250   11.34801261    6.56209312
 H                  9.16225198   12.25493954    5.93314899
 H                 10.09976546   10.76166818    6.22041936
 H                  8.32610442   10.73609735    6.38720976
 C                 10.75348142   12.45375986    8.25214156
 H                 10.84307225   13.31617347    7.56926271
 H                 10.87133583   12.81683974    9.28881710
 H                 11.58951985   11.76351583    8.03431372
 C                  9.48541562   10.39413372    8.88646290
 H                 10.26622664    9.74987932    8.44086814
 H                  9.77835839   10.58915972    9.92985866
 H                  8.54534866    9.82181726    8.87884941
 C                  6.25113143   12.27023808    8.30095487
 C                  5.80181913   12.61745486    6.86586473
 H                  4.75526385   12.28991228    6.72568907
 H                  5.83293111   13.70400404    6.68121013
 H                  6.41684823   12.11976840    6.09744626
 C                  6.09228921   10.75085136    8.51999148
 H                  5.02762337   10.49422332    8.36448136
 H                  6.67920994   10.15703335    7.80046949
 H                  6.35207927   10.43176428    9.54231896
 C                  5.36104119   13.03495908    9.30339555
 H                  4.30404056   12.78052464    9.10583715
 H                  5.58478730   12.77837585   10.35116384
 H                  5.45913330   14.12653491    9.18966952
 C                  8.24580247   13.22648079   10.35817626
 C                  8.60462472   14.47301795   10.95225002
 C                  8.67515483   16.05072775    5.33743928
 C                  7.54842006   16.50166335    4.54828322
 C                  7.21797234   17.87147879    4.55636286
 C                  6.83505188   15.58923857    3.72039606
 H                  7.77172015   18.55591596    5.20505130
 C                  5.41785725   17.45923220    2.95940412
 C                  9.89533300   15.98652100    5.64481800
 C                 11.31447857   15.90425065    5.98232671
 H                 11.45027367   15.30998992    6.90540392
 H                 11.84116001   15.36182966    5.17436797
 C                 11.99662818   17.29395077    6.21116202
 C                 12.20498818   18.07168656    4.87482746
 H                 12.46842950   19.10847500    5.15757105
 H                 13.08891320   17.64991184    4.36237730
 C                 11.09738872   18.08318999    7.19309832
 H                 10.92464706   17.46348576    8.09247573
 H                 10.11674975   18.25336989    6.71369260
 C                 13.38350546   17.01611102    6.81757672
 H                 13.95883460   17.96599993    6.86966187
 H                 13.95290968   16.32398695    6.15522888
 O                 13.22378226   16.44706195    8.11438400
 O                 11.57240720   19.38008249    7.55869490
 C                 14.47715690   16.21462401    8.75649990
 H                 14.25655415   15.76451163    9.73733927
 H                 15.11562761   15.51999248    8.17051474
 H                 15.03637022   17.16254455    8.90810710
 C                 12.39249294   19.42558896    8.73398259
 H                 12.39728941   20.47629299    9.06828255
 H                 11.98509929   18.78599352    9.54144971
 H                 13.43528975   19.10850208    8.54092787
 C                 11.01360090   18.08180179    3.94911924
 H                 10.21642358   18.79551264    4.20018116
 C                 10.82914058   17.30103629    2.85448593
 C                 11.80215463   16.24426929    2.38048718
 H                 12.72692436   16.19034008    2.97743586
 H                 11.32257988   15.24598590    2.40846953
 H                 12.08726402   16.42202666    1.32519191
 C                  9.58495222   17.42288904    2.00262488
 H                  9.02604015   16.46755125    1.98182828
 H                  8.89687035   18.20196224    2.36963946
 H                  9.85394388   17.65361914    0.95254200
 C                  6.16798115   18.34306332    3.75910208
 H                  5.91247916   19.40706503    3.78737881
 C                  5.78051733   16.09562393    2.94646580
 H                  5.20715004   15.40050553    2.32312131
 C                  7.23278823   14.13559930    3.63899939
 H                  8.20295622   14.02671461    3.11652017
 H                  7.36139693   13.69394134    4.64244852
 H                  6.47971498   13.54353223    3.09501834
 C                  4.21317732   17.92858205    2.17640670
 H                  4.14071685   19.02883170    2.15498003
 H                  4.23859333   17.56086930    1.13472903
 H                  3.28899588   17.53299428    2.63712580

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

Au Fe 0
SDD


