%mem=95GB
%nprocshared=24
%chk=Rh2_esp2_I_COOEt-N2-c2.chk
#P B3LYP/GenECP OPT=(TS,CalcFC,NoEigen,MaxCycle=100,MaxStep=10) Freq=NoRaman SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3BJ 

SP

0 1
 C                  4.21444400    4.12434100    2.55920200
 C                  3.55465700    4.51116600    1.39611200
 C                  2.96870500    3.56194800    0.54340700
 C                  3.06011900    2.21985300    0.92518400
 C                  3.68851100    1.81047300    2.09344800
 C                  4.28201700    2.77663000    2.90871500
 I                  2.17814200    0.59485500   -0.19296600
 C                  0.07227100    1.22876200   -0.18481500
 Rh                -1.14915100   -0.36029100   -0.01000800
 O                 -2.51106700    0.68417300    1.11405900
 C                 -3.46666400    0.06238800    1.68719500
 O                 -3.72472100   -1.17481100    1.55267500
 Rh                -2.48096300   -2.34908000    0.38970000
 O                 -1.37205200   -2.69583800    2.09523000
 C                 -0.47854700   -1.85306300    2.41574800
 O                 -0.15956400   -0.82585300    1.72990800
 C                  2.29173700    4.01708100   -0.70457100
 O                  1.88106200    5.28702900   -0.61711500
 C                  1.22005000    5.81109800   -1.78974000
 C                 -0.18073500    2.44246600    0.67132200
 O                  0.14733700    2.43685900    1.83981500
 O                 -0.86797000    3.38391200    0.03947200
 C                 -1.34285000    4.51408000    0.83986500
 O                  0.14639700   -1.48893600   -1.11074200
 C                 -0.11688900   -2.72774300   -1.31395300
 O                 -1.10187700   -3.34526000   -0.81077000
 C                  0.84156800   -3.49839600   -2.22111500
 C                  1.81462200   -2.54481200   -2.92735000
 C                  1.62102100   -4.51836800   -1.32910300
 C                  2.23209700   -3.92779700   -0.07877900
 C                  3.50184400   -3.33667100   -0.07485300
 C                  4.02739500   -2.80466500    1.10402300
 C                  3.28325300   -2.83272500    2.28335200
 C                  2.00079400   -3.39704400    2.30034600
 C                  1.50218300   -3.95177300    1.11655500
 C                  1.13992400   -3.38562800    3.54143900
 C                  0.29260600   -2.08436800    3.71721400
 C                  1.19381100   -0.88430900    4.03720100
 C                  0.01586200   -4.27323200   -3.26557400
 O                 -2.24746900   -0.06387700   -1.71496600
 C                 -3.18554400   -0.87788500   -2.02081500
 O                 -3.51987800   -1.88830100   -1.33031100
 C                 -3.97185000   -0.61489600   -3.30722800
 C                 -3.38248300    0.56132600   -4.09415800
 C                 -5.45602900   -0.32922400   -2.90942000
 C                 -5.62863900    0.74999500   -1.86581200
 C                 -5.70440800    2.10693400   -2.20656600
 C                 -5.82954300    3.07819800   -1.21149000
 C                 -5.87670200    2.70852400    0.13413800
 C                 -5.80259100    1.35812800    0.49976300
 C                 -5.69099600    0.39801900   -0.51251600
 C                 -5.80102900    0.91979600    1.94546600
 C                 -4.38265500    0.88222800    2.59989800
 C                 -3.83230900    2.30177100    2.78947300
 C                 -3.92537700   -1.89239000   -4.16972300
 C                 -0.72099500   -2.29559200    4.85811400
 C                 -4.47867800    0.17262000    3.96407700
 O                  2.11431800    3.31892500   -1.68777800
 N                 -0.09695300    1.86997200   -1.87537700
 N                 -0.53783800    1.77965000   -2.88927700
 F                  4.90045700   -0.07391000    0.16969900
 H                 -1.66485600    4.12936900    1.80801600
 H                 -0.49024400    5.18271200    0.98463900
 H                  0.92860300   -5.31799300   -1.04649600
 H                  2.39584500   -4.96583400   -1.96188500
 H                  4.09231000   -3.29348400   -0.98394200
 H                  5.01492800   -2.36209200    1.08782600
 H                  0.51817000   -4.41118300    1.12415800
 H                  0.68687400   -4.87042900   -3.89196800
 H                 -0.70260700   -4.94163900   -2.78472900
 H                 -0.53398100   -3.58460500   -3.91749500
 H                  2.45383800   -3.12099700   -3.60479300
 H                  1.27460600   -1.79820000   -3.51826500
 H                  2.45993200   -2.02100000   -2.22234400
 H                 -5.98642900   -0.06171000   -3.83045800
 H                 -5.89319300   -1.26185300   -2.53997400
 H                 -5.68243000    2.40256800   -3.25171900
 H                 -5.90341000    4.12674400   -1.48638800
 H                 -5.64474200   -0.65155500   -0.23965600
 H                 -4.33490100   -2.74872300   -3.62816800
 H                 -4.51191600   -1.74022800   -5.08199900
 H                 -2.89585400   -2.12771400   -4.46300000
 H                 -3.98197100    0.72759300   -4.99580500
 H                 -3.37754500    1.48122800   -3.50615900
 H                 -2.35456800    0.35034400   -4.40074100
 H                  0.45230200   -4.23697200    3.51646500
 H                  1.75707700   -3.48949000    4.44141900
 H                  3.70387600   -2.42547800    3.19906600
 H                 -0.18525600   -2.49886900    5.79150700
 H                 -1.38523500   -3.13691300    4.64500700
 H                 -1.33400400   -1.39925100    5.00647200
 H                  1.72933800   -1.07273800    4.97406700
 H                  0.60326400    0.02893700    4.15337200
 H                  1.92688400   -0.71089600    3.24771300
 H                 -6.41789100    1.59161900    2.55325600
 H                 -6.23596300   -0.08173200    2.02149000
 H                 -5.98815500    3.46945700    0.90171100
 H                 -4.85155100   -0.84838200    3.85144800
 H                 -5.16054800    0.72573100    4.61891600
 H                 -3.49810500    0.13140300    4.45193500
 H                 -4.49552200    2.86280900    3.45675600
 H                 -3.76552600    2.83418200    1.83900400
 H                 -2.83360200    2.27584400    3.23548200
 H                  3.72618200    0.76470700    2.37017500
 H                  3.49126100    5.55712600    1.12244600
 H                  4.78555300    2.46550000    3.81795100
 H                  4.66909700    4.87694800    3.19429400
 H                  1.88956500    5.76737800   -2.65063700
 H                  0.31762900    5.23123400   -1.99388900
 H                  0.97162700    6.84110700   -1.54095400
 C                 -2.47125100    5.15919500    0.06550300
 H                 -2.85260200    6.01499100    0.63175800
 H                 -2.12743100    5.51716800   -0.90981700
 H                 -3.29075500    4.45037400   -0.08945500
 P                  5.78781400   -0.10884900   -1.24078300
 F                  4.50861300   -0.81944100   -1.98566700
 F                  6.35286200   -1.58185700   -0.82355300
 F                  6.63243700   -0.13819900   -2.62490200
 F                  7.02014300    0.60396500   -0.45709800
 F                  5.16765200    1.35942300   -1.61749800

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

Rh I 0
SDD


