%nprocshared=20
%mem=2GB
#p opt=(ts,noeigentest,calcfc) freq=noraman b3lyp/genecp scrf=(solvent=dichloroethane,smd) empiricaldispersion=gd3 integral=grid=ultrafine

MM3-10-transcyclopropanation-CHD-TSopt

0 1
 C                 -0.54195200    0.92505300   -2.02502700
 C                 -1.97817300    0.90288400   -2.25644900
 H                 -2.30752700    0.66087800   -3.26846400
 C                 -2.89556900    1.12466300   -1.28556300
 H                 -2.52985300    1.34092200   -0.28451900
 C                 -4.34785600    1.03270700   -1.41480800
 C                 -5.10963700    0.83370800   -0.24600300
 C                 -5.01884400    1.10187600   -2.65249700
 C                 -6.49411200    0.68928500   -0.31247900
 H                 -4.60118800    0.76231800    0.71132400
 C                 -6.40328500    0.96507800   -2.71475400
 H                 -4.45542800    1.28159700   -3.56332500
 C                 -7.14596500    0.75507600   -1.54706700
 H                 -7.06408000    0.52458000    0.59749400
 H                 -6.90766500    1.02736400   -3.67492300
 H                 -8.22573700    0.64915600   -1.60043600
 Rh                 0.24044500   -0.04600300   -0.33065500
 O                  0.74591700   -1.65343500   -1.54043400
 O                 -0.22698700    1.43600100    1.04193500
 O                 -1.57048800   -0.95324600    0.14844700
 C                  3.08432400    0.28149100    0.10512300
 C                  4.46079500    0.91411500   -0.19871800
 F                  4.59971500    1.18664200   -1.50583500
 F                  4.56503700    2.07873200    0.48220700
 F                  5.46711700    0.11689000    0.17974400
 O                  2.15394600    0.68682600   -0.64795700
 O                  3.04714000   -0.50891000    1.07950300
 Rh                 1.20233200   -1.34886700    1.60801700
 O                  1.53854300   -2.87760100    0.21973000
 O                 -0.73215500   -2.04371000    1.97053800
 O                  0.76620800    0.33763500    2.78130600
 C                  1.26497400   -2.66624800   -0.98705900
 C                  0.16074000    1.29221200    2.23910400
 C                  1.63964300   -3.78174000   -1.98782300
 F                  2.65219000   -3.35466000   -2.76968500
 F                  0.59472700   -4.07423600   -2.78210700
 F                  2.02909600   -4.90279800   -1.36963200
 C                 -0.16374400    2.51726400    3.12068000
 F                  0.22103400    2.34464800    4.38941300
 F                 -1.48724900    2.76237200    3.10438000
 F                  0.46672900    3.60349300    2.62801000
 C                 -1.64003100   -1.66422200    1.18914300
 C                 -3.08244400   -2.05167200    1.58357300
 F                 -3.11525200   -3.15930600    2.33502000
 F                 -3.61482000   -1.03695000    2.30451700
 F                 -3.85612900   -2.24187200    0.50520600
 H                  0.06150000    0.56327700   -2.85846200
 C                  1.13660100    3.54191100   -0.75727300
 C                 -0.06901400    3.12652700   -1.54120800
 C                  0.00899900    2.73789200   -2.86387100
 C                  1.31162700    2.67612500   -3.53853600
 C                  2.41244600    3.16765100   -2.94950300
 C                  2.39018800    3.84661800   -1.60802800
 H                 -0.88078800    2.74280700   -3.48358500
 H                 -1.04108500    3.24350500   -1.07536800
 H                  2.47445300    4.92839000   -1.78784100
 H                  1.34883800    2.23659700   -4.53082400
 H                  3.36528200    3.13842800   -3.47293100
 H                  3.28706800    3.57355000   -1.04550900
 H                  1.35541400    2.77271100   -0.01653400
 H                  0.84084600    4.41844100   -0.16880400

-Rh
LanL2DZ
****
-P -C -H -O -Cl -F
6-31G(d,p)
****

-Rh
LanL2DZ







