%nproc=20
%Mem=40000MB
%Chk=IE13_TSInt1b-2b_pI_4_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                  7.85592900   12.94726900    8.32516800
 Fe                 8.34900400   17.35172400   11.11330800
 Au                 8.19021100   14.90194000    7.05626200
 C                  7.61118000   11.88282600   10.90704400
 H                  7.14407100   11.03374600   10.40340100
 C                  7.91549700   11.76384500   12.26840300
 H                  7.65814900   10.84543400   12.80565600
 C                  8.57676500   12.81744800   12.92016500
 H                  8.86119400   12.72810800   13.97455900
 C                  8.84000200   14.00090100   12.22356200
 H                  9.30746900   14.84909200   12.73284900
 C                  8.67703100   15.49797000   10.25090600
 C                  9.63572400   17.50314700    9.55711700
 H                 10.37648700   18.28980200    9.41687000
 C                  9.88294300   16.28639200   10.27136100
 H                 10.81818900   16.00304000   10.75628500
 C                  7.69839600   17.08581000   13.04934600
 H                  7.51411700   16.11966900   13.52140200
 C                  7.68321800   16.25213100    9.52588400
 H                  6.65441600   15.92546600    9.41137600
 C                  8.26170900   17.50859700    9.07479700
 C                  8.75962700   19.00013600   12.25226900
 H                  9.52688000   19.73874600   12.01355000
 C                  8.95090400   17.79567800   13.02174800
 H                  9.89014200   17.46135200   13.46630100
 C                  7.39105400   19.02774500   11.80475800
 H                  6.94872300   19.78250200   11.15114800
 C                  8.47760300   19.70841500    7.93728200
 H                  9.46181200   19.79720900    8.40585500
 C                  7.67187300   18.57923000    8.23566500
 C                  6.73600000   17.84500200   12.29966700
 H                  5.69745100   17.56034100   12.13690300
 C                  5.98712400   19.54262000    6.72850100
 H                  4.99205300   19.47412400    6.27426900
 C                  6.81545900   20.63108500    6.42898400
 H                  6.48083700   21.40627900    5.73236600
 C                  6.38025300   18.52533900    7.62879200
 C                  4.81197600   17.35030900    9.20434200
 H                  5.22075300   17.95625000   10.01604000
 C                  5.34817000   17.48572600    7.91117800
 C                  3.79502800   16.41715400    9.46002500
 C                  3.76390400   15.79984000    7.12826300
 C                  3.24509200   15.65029900    8.42316000
 H                  2.45118400   14.92839500    8.62729700
 C                  8.06629100   20.71915300    7.06195100
 H                  8.72653100   21.57162800    6.86970300
 C                  4.81343800   16.69450600    6.87440500
 H                  5.22576600   16.76751900    5.86567100
 C                  3.40055200   16.15509700   10.89070600
 C                  3.15898100   15.01790900    5.98730400
 F                  4.33981400   15.35714900   11.50028300
 F                  3.33879700   17.30640700   11.62540600
 F                  2.20369700   15.52520200   11.00424500
 F                  2.05413600   15.63865900    5.48265100
 F                  4.03602100   14.86173600    4.95344800
 F                  2.76362000   13.76859400    6.38299000
 C                  9.36144300   11.82305600    7.93555800
 C                  9.43323500   11.64866400    6.40263400
 H                  9.46885300   12.61936200    5.87719600
 H                 10.35019600   11.08733700    6.14612600
 H                  8.57365400   11.07624400    6.01321900
 C                 10.59274400   12.60428000    8.45639400
 H                 10.62583900   13.64644200    8.09076600
 H                 10.61133600   12.63839400    9.55975200
 H                 11.51291300   12.09464100    8.11379100
 C                  9.35223000   10.43739000    8.61381100
 H                 10.28468000    9.91296000    8.33164400
 H                  9.34076700   10.51743600    9.71291700
 H                  8.50965600    9.80556700    8.29519400
 C                  6.15789800   12.21698900    7.81385600
 C                  5.88713400   12.65110700    6.35242000
 H                  4.90548900   12.25256500    6.03881000
 H                  5.84825700   13.74858700    6.25127600
 H                  6.65123700   12.27548300    5.65096000
 C                  6.02313300   10.68258900    7.89262600
 H                  4.98432300   10.41422700    7.62295900
 H                  6.68945800   10.17454100    7.17588300
 H                  6.21118400   10.27373600    8.89790700
 C                  5.12816600   12.90205900    8.73871200
 H                  4.11353100   12.73440800    8.33575400
 H                  5.16566000   12.51486600    9.76992900
 H                  5.28977700   13.99310300    8.77628300
 C                  7.91731800   13.05503800   10.17167000
 C                  8.47649400   14.16742600   10.86662600
 C                  8.60521900   16.30392000    5.51673700
 C                  7.63782300   16.24232200    4.40662500
 C                  7.56396100   15.05914200    3.63275900
 C                  6.72067400   17.28051400    4.13784300
 C                  6.61842400   14.92448600    2.60632600
 H                  8.24377500   14.22989900    3.85412400
 C                  5.76158500   17.15490300    3.12115200
 H                  6.75063400   18.19287400    4.73976600
 C                  5.71746200   15.97503300    2.36119900
 H                  6.57876300   14.00247400    2.02038100
 H                  5.05814700   17.97210600    2.93786500
 C                  9.77008700   16.89315200    5.68244700
 C                 10.97573300   16.74564300    6.54258000
 H                 11.33862300   17.71715000    6.92229900
 H                 10.70990100   16.14591100    7.42865000
 C                 12.08788500   16.05631200    5.71432900
 C                 12.25654100   16.90038400    4.40789600
 H                 12.95567400   17.73467900    4.59360400
 H                 12.70143700   16.26386200    3.62600700
 C                 13.39551900   16.03059800    6.53153900
 H                 13.67609600   17.06906600    6.79916800
 H                 14.20955300   15.59851700    5.91958500
 C                 11.66601200   14.62178700    5.34548200
 H                 10.73411800   14.63081400    4.74024900
 H                 11.44997300   14.04915800    6.26852000
 O                 12.72654500   14.01422200    4.60883700
 O                 13.21367900   15.29736500    7.74919200
 C                 12.42200000   12.66435100    4.26603500
 H                 13.25167800   12.29320300    3.64419600
 H                 12.33208300   12.02665200    5.17063800
 H                 11.47288000   12.59176900    3.69173600
 C                 13.90037400   14.04192500    7.77453200
 H                 13.61161300   13.54459700    8.71498400
 H                 13.61830000   13.39828000    6.91846100
 H                 15.00110600   14.18126000    7.76228600
 C                 10.91635400   17.42724000    3.94889300
 H                 10.37476600   16.85795900    3.18271700
 C                 10.39447500   18.67131100    4.30539800
 C                 11.09655700   19.64892400    5.21317300
 H                 12.09485700   19.32905200    5.54298100
 H                 11.19773900   20.61553300    4.68809100
 H                 10.47186000   19.84257800    6.10311800
 C                  9.18616200   19.24071300    3.61268700
 H                  9.52951100   20.06669900    2.95960200
 H                  8.65664700   18.50528000    2.99054700
 H                  8.48622400   19.68356700    4.34184800
 I                  4.24360700   15.76198400    0.83731300

C H P O F 0
6-31G*
****
Au Fe 0
SDD 
****
I 0
LANL2DZ
D 1 1.0
0.289 1.0
****

Au Fe 0
SDD
I 0
LANL2DZ

