%mem=102GB
%nprocshared=24
#P B3LYP/GenECP OPT=(MaxCycle=50) Freq=NoRaman SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3BJ

opt of Geom

0 1
 C                  3.96389200    0.15343800    1.34843700
 C                  4.82735900   -0.15725500    2.57412500
 C                  5.93469700   -1.16911700    2.13751400
 H                  6.63227000   -0.64418400    1.47726900
 H                  6.48732900   -1.44851500    3.04184000
 C                  5.40732200   -2.39847600    1.43522100
 C                  4.99827300   -3.53684700    2.14163400
 H                  5.10556400   -3.56775000    3.22242600
 C                  4.46974100   -4.63624600    1.46291900
 H                  4.16524600   -5.51884800    2.01835800
 C                  5.28590000   -2.39882200    0.04095400
 H                  5.61366500   -1.52697700   -0.51655300
 C                  5.49836600    1.15007000    3.03896500
 H                  6.14886400    0.94377200    3.89560300
 H                  6.10012100    1.59018600    2.23980200
 H                  4.74743700    1.88456300    3.35205600
 C                  3.97358800   -0.73762200    3.70977900
 H                  4.61271900   -0.94179900    4.57559600
 H                  3.19484100   -0.03186800    4.01364200
 H                  3.48633200   -1.66705900    3.40969100
 C                  1.99637500    3.09959700    0.42927500
 C                  1.75250200    4.44056600    1.12535200
 C                  1.38193600    5.48599800    0.02692500
 H                  1.13934400    6.42055500    0.54557100
 H                  2.27220700    5.67123700   -0.58196100
 C                  0.24061500    5.06559400   -0.86906000
 C                 -1.09628300    5.31154100   -0.53103500
 H                 -1.33325800    5.85057400    0.38195300
 C                 -2.12381000    4.88696100   -1.37410000
 H                 -3.15344300    5.10885300   -1.11398600
 C                  0.51303300    4.39000400   -2.06384200
 H                  1.54681500    4.20819500   -2.34062000
 C                  3.06544800    4.87352900    1.80764100
 H                  3.87958900    4.95443900    1.08312800
 H                  2.92365400    5.84768000    2.28767600
 H                  3.35899000    4.15365900    2.58028100
 C                  0.63697100    4.32809600    2.16729800
 H                  0.48147700    5.30349900    2.64100500
 H                 -0.30383000    4.00560300    1.72035300
 H                  0.90151800    3.60806600    2.94539800
 O                  2.74207500   -0.21645300    1.39849800
 O                  4.51062700    0.74920900    0.37072000
 O                  1.20749000    2.13371300    0.70984500
 O                  2.96493000    3.03438100   -0.38563300
 Rh                 3.38485700    1.24291900   -1.29832700
 C                  2.94099700   -1.53831100   -1.91443600
 C                  3.19320300   -2.87141300   -2.62323200
 C                  4.58360100   -3.40631500   -2.15486400
 H                  5.35640900   -2.75145400   -2.56927000
 H                  4.71384400   -4.39504400   -2.60945400
 C                  4.74572700   -3.48616800   -0.65517500
 C                  4.33974900   -4.61155100    0.07340200
 H                  3.93464700   -5.47404800   -0.44842100
 C                  3.24637600   -2.60560300   -4.14113900
 H                  3.44957100   -3.54340600   -4.66919200
 H                  4.03052700   -1.88603300   -4.38957100
 H                  2.28877000   -2.21306300   -4.50193400
 C                  2.08169100   -3.88004000   -2.31480600
 H                  2.31022600   -4.83284400   -2.80448400
 H                  1.12430600   -3.52098100   -2.69986100
 H                  1.97034100   -4.05463600   -1.24379100
 O                  1.95260300   -1.47667400   -1.10963100
 O                  3.73312700   -0.58080100   -2.17165000
 C                  0.87446400    1.34986000   -2.76770300
 C                 -0.06488600    1.61631600   -3.94662400
 C                 -0.14783400    3.16135400   -4.15772100
 H                 -0.88900500    3.33724600   -4.94570600
 H                  0.81973500    3.50696500   -4.53592100
 C                 -0.50529100    3.93722500   -2.91099900
 C                 -1.83417400    4.19907500   -2.55395600
 H                 -2.64149000    3.87817300   -3.20639500
 C                  0.54335500    0.96642100   -5.20452100
 H                  1.54637800    1.35250800   -5.40377600
 H                 -0.09301000    1.17775900   -6.07048800
 H                  0.60731800   -0.12154700   -5.08745100
 C                 -1.45732700    1.02752400   -3.67469200
 H                 -2.08827200    1.16939300   -4.55901800
 H                 -1.94320000    1.51245700   -2.82574300
 H                 -1.40179400   -0.04050600   -3.45082400
 O                  0.33952700    0.83303400   -1.73209500
 O                  2.10190900    1.65456200   -2.87989700
 Rh                 1.47092000    0.26968500   -0.13693200
 C                 -0.01779000   -0.49167700    0.77790800
 C                  0.10290500   -1.56907100    1.80519100
 O                  0.25542800   -1.07001300    3.01203100
 C                  0.33576600   -2.01774200    4.13232800
 O                  0.17974600   -2.75398300    1.51982400
 H                  1.32427500   -2.47956600    4.09128300
 H                 -0.43613100   -2.76987100    3.97631400
 C                  0.11228300   -1.21085900    5.39096800
 H                 -0.88894400   -0.77137700    5.38172800
 H                  0.19467900   -1.87048500    6.26067600
 H                  0.85776100   -0.41496400    5.48859000
 C                 -3.09512400    2.78904400    1.78264100
 C                 -2.17445300    1.73967700    1.90543700
 C                 -1.38144500    1.58722400    3.02980700
 C                 -1.49820000    2.51961000    4.06463400
 C                 -2.38602700    3.58938600    3.96325300
 C                 -3.17926300    3.72169500    2.82813500
 I                 -2.03641600    0.28820500    0.29893800
 C                 -4.00713200    2.86336400    0.62170300
 O                 -4.78117500    3.94503400    0.60343800
 C                 -5.75390300    4.00878500   -0.46416300
 O                 -4.06118100    1.98598800   -0.23458300
 H                 -0.68666000    0.76766900    3.12350500
 H                 -0.88113900    2.39838000    4.94925200
 H                 -2.46849300    4.31222200    4.76765700
 H                 -3.89013200    4.53423700    2.73961800
 H                 -6.44391700    3.16628100   -0.38658000
 H                 -5.25124100    3.98606300   -1.43285800
 H                 -6.27495300    4.95293100   -0.31814200
 C                 -1.23439600   -3.02618500   -1.50558900
 O                 -1.10154100   -1.81495400   -1.33528400
 O                 -0.86574600   -3.93839000   -0.62309600
 H                 -0.46950800   -3.48374500    0.16916100
 C                 -1.87703000   -3.62647200   -2.72905200
 H                 -1.72696800   -2.95490600   -3.57750600
 H                 -1.40792200   -4.59021300   -2.94375600
 C                 -3.40007000   -3.84363100   -2.47732800
 C                 -3.98762900   -4.68002000   -3.58857600
 C                 -4.52978100   -5.88464300   -3.41125000
 H                 -4.94310700   -6.45213900   -4.24065400
 H                 -4.58283200   -6.34590300   -2.42725000
 H                 -3.95118900   -4.24591400   -4.58760800
 C                 -4.12471700   -2.51543100   -2.32219700
 C                 -4.67983800   -2.15375800   -1.09047000
 C                 -5.34359600   -0.93392700   -0.94403700
 C                 -5.46535400   -0.06429900   -2.02823500
 C                 -4.90420800   -0.41263800   -3.25892000
 C                 -4.23766200   -1.62892400   -3.40259600
 H                 -3.79987200   -1.88427800   -4.36407600
 H                 -4.98296200    0.26275100   -4.10644600
 H                 -5.97208800    0.88739000   -1.90868500
 H                 -5.74582400   -0.66579200    0.02674400
 H                 -4.57430300   -2.80881700   -0.23313300
 H                 -3.50066500   -4.40337700   -1.54100400
 F                 -2.68331600   -2.69934100    1.38862900
 P                 -3.54221100   -2.53236000    2.77791000
 F                 -4.38164800   -2.35883900    4.16187100
 F                 -2.50256400   -1.34471400    3.25847200
 F                 -4.47722100   -1.39113500    2.06309400
 F                 -4.56376100   -3.69892300    2.27389200
 F                 -2.58075700   -3.64912100    3.48999700

H C O F P 0
6-31G*
****
Rh I 0
SDD
****

Rh I 0
SDD


