%nproc=12
%Mem=20000MB
%Chk=IE13_TSInt2a-1a_S1S8_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                  7.75054400   12.88916500    8.32626700
 Fe                 8.25152000   17.15784900   11.30757800
 Au                 8.02008700   14.90602200    7.14381900
 C                  7.78612600   11.65375900   10.84597400
 H                  7.36587400   10.79925200   10.31244100
 C                  8.14516700   11.48661500   12.18830900
 H                  7.97620000   10.52389800   12.68131500
 C                  8.74122000   12.55414000   12.87977800
 H                  9.05865300   12.43487000   13.92108200
 C                  8.89873100   13.78596500   12.23822900
 H                  9.31651400   14.64043700   12.77972100
 C                  8.61722200   15.36088200   10.34848800
 C                  9.51186200   17.42530000    9.74659800
 H                 10.24037600   18.22607000    9.62787300
 C                  9.80199200   16.18003000   10.38902400
 H                 10.75477100   15.89565100   10.83775200
 C                  7.55446600   16.77414300   13.20283100
 H                  7.36263200   15.77728600   13.60342400
 C                  7.59135100   16.12491900    9.67874700
 H                  6.56456600   15.78479800    9.58430200
 C                  8.12582600   17.42303800    9.29068500
 C                  8.63387400   18.73376100   12.55226900
 H                  9.40624900   19.48485800   12.37759800
 C                  8.80612800   17.48559900   13.25334000
 H                  9.73289700   17.12758100   13.70571300
 C                  7.27756600   18.78914300   12.07159000
 H                  6.85540000   19.57849700   11.44610400
 C                  8.20131900   19.77608700    8.50723600
 H                  9.04163900   19.91845200    9.19316500
 C                  7.51189300   18.53794600    8.52560800
 C                  6.61078800   17.57784500   12.47356900
 H                  5.57969000   17.30275800   12.25495500
 C                  6.01851700   19.48150200    6.82039000
 H                  5.12896600   19.37212000    6.19153300
 C                  6.78033000   20.65444600    6.75094500
 H                  6.50922300   21.44641100    6.04543300
 C                  6.33698500   18.43559300    7.71584000
 C                  4.78257800   17.15067600    9.16832300
 H                  5.20329100   17.70124300   10.01469300
 C                  5.31054300   17.36955700    7.87962200
 C                  3.75557300   16.22121000    9.37662600
 C                  3.68480700   15.77026500    7.00732200
 C                  3.18460800   15.53565700    8.29635300
 H                  2.38194600   14.81429900    8.45929300
 C                  7.85601700   20.81681200    7.63898400
 H                  8.43417600   21.74679300    7.65078600
 C                  4.74697100   16.66802800    6.79239900
 H                  5.14359900   16.81679600    5.78361300
 C                  3.37871000   15.87349500   10.79295700
 C                  3.03022000   15.07436700    5.83739200
 F                  4.35619900   15.08696400   11.36024400
 F                  3.27343100   16.98293200   11.58473900
 F                  2.21132600   15.18771100   10.88053000
 F                  2.07771500   15.86044100    5.25643900
 F                  3.92835500   14.75486000    4.86129600
 F                  2.41647000   13.91284000    6.21472500
 C                  9.19977700   11.80550900    7.68178800
 C                  9.02566400   11.61456900    6.15754100
 H                  8.88031000   12.57890000    5.63715300
 H                  9.93966500   11.14131800    5.75213600
 H                  8.17586500   10.95360200    5.91518400
 C                 10.48340700   12.62955000    7.95890600
 H                 10.49426500   13.57812000    7.39227000
 H                 10.59287200   12.86708000    9.03243700
 H                 11.36338500   12.03505700    7.64894800
 C                  9.34690600   10.43075500    8.36760300
 H                 10.18741700    9.89518400    7.88768900
 H                  9.58648700   10.52877100    9.43902000
 H                  8.45160700    9.79866600    8.26192500
 C                  6.01223300   12.17248700    7.94854600
 C                  5.60239000   12.66159800    6.53881800
 H                  4.57711700   12.31154500    6.32266400
 H                  5.60004300   13.76233800    6.47562800
 H                  6.26944900   12.27777500    5.74845000
 C                  5.88666600   10.63559000    7.98815100
 H                  4.83777500   10.36964900    7.75819200
 H                  6.52215500   10.14662500    7.23181400
 H                  6.11594300   10.20338700    8.97520600
 C                  5.07225700   12.81560100    8.99161600
 H                  4.02343400   12.60883800    8.70876800
 H                  5.24119900   12.42569600   10.00865300
 H                  5.19554800   13.91083900    9.01960800
 C                  7.97881800   12.88169600   10.16483800
 C                  8.48933400   13.99285000   10.89899300
 C                  8.53372900   16.20741800    5.57023200
 C                  7.51929300   16.56396100    4.56524800
 C                  7.32710000   17.92658000    4.23888500
 C                  6.71458900   15.58779100    3.93633400
 C                  6.37431200   18.29908100    3.27810700
 H                  7.90476400   18.69090300    4.76743800
 C                  5.78486300   15.96270900    2.95686300
 H                  6.83693400   14.53542000    4.21639700
 C                  5.61008300   17.31799600    2.62382800
 H                  6.22918700   19.35993900    3.04539100
 H                  5.17668400   15.19503400    2.46815400
 H                  4.87032400   17.60770700    1.86987200
 C                  9.83154800   16.44193100    5.55939000
 C                 10.99876700   16.50512400    6.48231100
 H                 10.62541500   16.40998800    7.51794500
 H                 11.71127400   15.67585600    6.30701400
 C                 11.72142700   17.86123800    6.27937000
 C                 11.99394600   17.96286700    4.75382400
 H                 12.18774000   19.01673800    4.48873100
 H                 12.89723300   17.38473500    4.49032700
 C                 10.78755300   19.01793600    6.70426700
 H                 10.53601800   18.89827400    7.76731800
 H                  9.83729500   18.96762300    6.14149200
 C                 13.02664700   17.90920100    7.07697000
 H                 13.56574800   18.85617400    6.85604800
 H                 13.68949300   17.06610000    6.77728300
 O                 12.70507400   17.82037700    8.46709500
 O                 11.38520100   20.29279800    6.45442400
 C                 13.86797200   17.89271100    9.29201400
 H                 13.52498400   17.80905700   10.33557400
 H                 14.57681700   17.06684100    9.07313900
 H                 14.40088400   18.85848400    9.15926200
 C                 11.76361500   20.98385900    7.64833900
 H                 12.31449800   21.88525600    7.33370500
 H                 10.87482700   21.29634100    8.23529000
 H                 12.41160000   20.36561200    8.29966500
 C                 10.78517200   17.45567200    3.99189300
 H                 10.02955500   18.19580500    3.70293100
 C                 10.72142300   16.22014800    3.34259700
 C                 11.73709100   15.12463900    3.51200600
 H                 12.56139100   15.37266800    4.19542900
 H                 11.23417800   14.21086800    3.88045500
 H                 12.16569600   14.86977700    2.52458000
 C                  9.64165500   15.93246200    2.33884500
 H                  9.12879500   14.98092800    2.56151500
 H                  8.89472400   16.73573400    2.26674000
 H                 10.12785300   15.80798400    1.35049200

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

Au Fe 0
SDD

