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

MM3-17-trans-proximal-TS-MORE

0 1
 C                  0.61815400   -0.91128700   -1.97903600
 C                  2.05355400   -0.86972400   -2.17480800
 H                  2.40038700   -0.58355200   -3.17042800
 C                  2.95699500   -1.14627700   -1.20310600
 H                  2.57796000   -1.42567200   -0.22343900
 C                  4.40999100   -1.05263600   -1.30727900
 C                  5.15781500   -0.95970300   -0.11525100
 C                  5.09831700   -1.02276400   -2.53671800
 C                  6.54385000   -0.82072200   -0.15160100
 H                  4.63757900   -0.96738600    0.83824100
 C                  6.48405600   -0.89022600   -2.56969500
 H                  4.54830900   -1.12180200   -3.46864100
 C                  7.21222100   -0.78543700   -1.37804700
 H                  7.10257800   -0.73828700    0.77701600
 H                  7.00090900   -0.87476000   -3.52417500
 H                  8.29314100   -0.68301100   -1.40873400
 Rh                -0.23825100    0.01297700   -0.30286200
 O                 -0.40384900    1.72232500   -1.46493700
 O                 -0.12462200   -1.57603300    1.02956100
 O                  1.58599700    0.68280500    0.43843100
 C                 -3.13196100   -0.04680400   -0.16591000
 C                 -4.51591900   -0.58507800   -0.58987500
 F                 -4.57818200   -0.80515000   -1.91411300
 F                 -4.73378300   -1.76367600    0.03709600
 F                 -5.50138300    0.25572100   -0.25266200
 O                 -2.17438700   -0.46112000   -0.87556800
 O                 -3.12376600    0.68232600    0.85723100
 Rh                -1.27696000    1.33334000    1.58813600
 O                 -1.31353900    2.94055500    0.24161500
 O                  0.66156800    1.84160400    2.17417300
 O                 -1.12340800   -0.41859900    2.72661900
 C                 -0.89717000    2.75683300   -0.92715800
 C                 -0.58832000   -1.42223200    2.19566200
 C                 -1.01000200    3.94859500   -1.90380500
 F                 -1.87895000    3.64143400   -2.88829300
 F                  0.18390000    4.20715200   -2.46763100
 F                 -1.43971100    5.06002200   -1.29448400
 C                 -0.48481100   -2.69673000    3.06318000
 F                 -0.81592500   -2.46778500    4.33828400
 F                  0.76660900   -3.18797500    3.02751700
 F                 -1.31667200   -3.64306400    2.57361900
 C                  1.60713700    1.38814600    1.48533700
 C                  3.03773200    1.67178900    1.99514400
 F                  3.06414900    2.65943600    2.89657000
 F                  3.52050800    0.55167900    2.58157600
 F                  3.85750300    1.99354500    0.98197300
 H                  0.02906500   -0.61496700   -2.84799000
 C                 -1.26317200   -3.42469500   -0.97106300
 C                  0.06390200   -3.13344700   -1.47815900
 C                  0.27472400   -2.89953600   -2.82150400
 H                  1.27815800   -2.95892300   -3.22672800
 H                  0.91016600   -3.21561200   -0.80547100
 H                 -1.35797600   -3.72456900    0.06541200
 C                 -2.34471100   -3.26703900   -1.75986100
 H                 -3.33797200   -3.45056900   -1.36012400
 C                 -2.23783400   -2.70581300   -3.14815600
 H                 -2.40825900   -1.62475700   -3.05963800
 H                 -3.03903600   -3.09066900   -3.78645500
 C                 -0.86833000   -2.97505600   -3.79369300
 H                 -0.69842100   -2.30408300   -4.64181700
 H                 -0.83887500   -3.99649900   -4.20402900

B 1 49 B
B 1 50 B

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

-Au -Rh
LanL2DZ










