%nprocshared=20
%mem=8GB
# opt=(modredundant,maxstep=3) freq=noraman b3lyp/genecp scrf(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral=grid=ultrafine

MM3-11-transcyclopropanation-CHD-TSopt-LESS

0 1
 C                  0.61886100   -1.34982000   -1.62758000
 C                  2.04469500   -1.34301500   -1.85129500
 H                  2.38481500   -1.38849100   -2.88893300
 C                  2.96016100   -1.29114500   -0.84749400
 H                  2.58719000   -1.25752600    0.17230000
 C                  4.41283400   -1.25570300   -0.97421300
 C                  5.17158700   -0.90189600    0.16127200
 C                  5.09405300   -1.55026600   -2.17493000
 C                  6.56094300   -0.83359500    0.09809300
 H                  4.65648300   -0.65649400    1.08503100
 C                  6.48388600   -1.48579700   -2.23164600
 H                  4.53494100   -1.84567800   -3.05673500
 C                  7.22226200   -1.12662100   -1.09847500
 H                  7.12940300   -0.55228800    0.97971400
 H                  6.99516100   -1.72088800   -3.16134100
 H                  8.30632400   -1.08026400   -1.14835700
 Rh                -0.23559800    0.00753300   -0.28518600
 O                 -0.44007400    1.39336500   -1.82144600
 O                 -0.09940100   -1.20913800    1.38182600
 O                  1.56207000    0.90090600    0.26762400
 C                 -3.12726700   -0.10256200   -0.16016900
 C                 -4.47405600   -0.77288900   -0.50395400
 F                 -4.58797000   -0.96055800   -1.83107100
 F                 -4.52524900   -1.98597400    0.09106100
 F                 -5.51935700   -0.05274600   -0.08374100
 O                 -2.14026700   -0.66150700   -0.72057700
 O                 -3.15726500    0.86378900    0.63849400
 Rh                -1.33354300    1.71289300    1.22567700
 O                 -1.37598500    2.96321200   -0.44607300
 O                  0.58399800    2.37930900    1.70811600
 O                 -1.19183100    0.26623900    2.73900000
 C                 -0.94308300    2.51977600   -1.53819200
 C                 -0.62948000   -0.82044700    2.46417900
 C                 -1.03010400    3.46880600   -2.75419800
 F                 -1.82768100    2.92834700   -3.69748000
 F                  0.19034600    3.64540200   -3.29232300
 F                 -1.52267800    4.66808200   -2.42216200
 C                 -0.58541000   -1.89716000    3.56787400
 F                 -1.00667700   -1.42816200    4.74710000
 F                  0.66556600   -2.36854500    3.71690000
 F                 -1.37935400   -2.92763900    3.20890900
 C                  1.55149500    1.81247400    1.14240000
 C                  2.96833700    2.22300600    1.60237100
 F                  2.96253800    3.36070200    2.30624100
 F                  3.46961800    1.24138500    2.38684300
 F                  3.79114000    2.37278900    0.55210600
 H                  0.01499900   -1.42096900   -2.53447600
 C                 -1.32359800   -3.55214000   -0.34698000
 C                  0.11335800   -3.30623900   -0.74376700
 C                  0.56567800   -3.88345300   -1.91686200
 C                 -0.33015800   -4.49517700   -2.86556000
 C                 -1.67206600   -4.41602000   -2.69626800
 C                 -2.27342500   -3.66314200   -1.54945600
 H                  1.62763200   -3.88246200   -2.13935600
 H                  0.81864300   -3.09018900    0.05234600
 H                 -3.22364900   -4.11583600   -1.24641700
 H                  0.09444000   -4.99021600   -3.73354700
 H                 -2.33909700   -4.84185500   -3.44207000
 H                 -2.52842000   -2.65756900   -1.91312400
 H                 -1.68151300   -2.80013500    0.35375500
 H                 -1.31414300   -4.50929300    0.20155500

B 1 49 B
B 1 50 B

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

-Au -Rh
LanL2DZ










