%nprocshared=20
%mem=8GB
# opt=(modredundant,ts,noeigentest,calcfc) freq=noraman b3lyp/genecp scrf(smd,solvent=dichloroethane) empiricaldispersion=gd3

MM2-64-cisdivinylM4Cp-to-Me4CHD_TS_optfreq

0 1
 C                 -2.35636700    0.71961900    0.21574600
 C                 -2.55450600   -0.59974200   -0.50014800
 C                 -1.71185900    0.00407400   -1.60529900
 C                 -0.32972100    0.03290500   -1.68738000
 H                 -2.27653600    0.60692000   -2.31316400
 C                  0.54435700   -0.68772500   -0.84695000
 H                  0.10013100    0.80504600   -2.32825700
 C                  1.92941400   -0.28424100   -0.61451400
 H                  0.34649500   -1.73167100   -0.65219900
 C                  2.36148700    1.05434700   -0.75353300
 C                  2.88122300   -1.23358400   -0.18009800
 C                  3.68386400    1.41430300   -0.50022900
 C                  4.61335800    0.45675100   -0.07950100
 C                  4.20063700   -0.86975700    0.08328300
 H                  2.57406600   -2.26978200   -0.05988500
 H                  1.64649200    1.81873200   -1.04378900
 H                  3.98869400    2.45131900   -0.61688300
 H                  5.64116100    0.74192000    0.12661300
 H                  4.91071400   -1.62371100    0.41352800
 C                 -1.30041300    0.59698800    1.13596500
 C                 -1.82345200   -1.58717300    0.42604400
 C                 -0.80035300   -0.70986500    1.12909400
 H                 -1.40829600   -2.45347800   -0.09556800
 H                 -2.53627000   -1.97626800    1.17046200
 C                  0.18093600   -1.28813200    2.10066800
 H                  0.66345500   -2.18161300    1.69123000
 H                  0.96770200   -0.57720300    2.36678600
 H                 -0.32659700   -1.59268900    3.02801300
 C                 -0.67879000    1.76555800    1.84593500
 H                 -0.00259700    2.31268100    1.17353100
 H                 -1.43697100    2.47785900    2.18802300
 H                 -0.09530300    1.45422600    2.71660700
 C                 -3.16552800    1.96353500   -0.00751500
 H                 -3.83968500    1.86376000   -0.86171000
 H                 -3.78539600    2.18195500    0.87295700
 H                 -2.53284000    2.84214500   -0.17765400
 C                 -3.95225600   -1.03168700   -0.91593400
 H                 -3.90438900   -1.95616000   -1.50285300
 H                 -4.57971800   -1.21694200   -0.03678800
 H                 -4.44650100   -0.27408700   -1.53280600

B 1 3 B
B 6 22 B

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

-Au -Rh
LanL2DZ










