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

MM2-21-cisCOD-to-CHDCOD-TSdef-less

0 1
 C                  1.58902800   -0.66406400    1.76561400
 C                  0.65005600    0.35651000    1.50731700
 C                  2.55302500   -1.22735800    0.95347800
 C                  2.77152900   -1.09324100   -0.53362800
 C                  2.85119500    0.25777700   -1.29197700
 C                  0.86976500    1.80604500    1.09383600
 C                  1.67311500    2.25172400   -0.13910800
 H                  1.33272300    2.27235900    1.97994100
 H                 -0.12394800    2.26735100    1.01758200
 C                  2.99908900    1.53988800   -0.44956000
 H                  1.87183400    3.31984200    0.00925100
 H                  1.04241400    2.20374000   -1.03641500
 H                  1.99175000    0.36169400   -1.96161400
 H                  3.71898300    0.18234700   -1.95392100
 H                  3.54763000    1.32605300    0.47667400
 H                  3.62201700    2.24065800   -1.01848800
 H                  1.37508000   -1.25522900    2.66141700
 H                 -0.18423400    0.32527500    2.21228900
 C                  1.60052400   -2.03543700   -0.74505000
 H                  3.09918600   -2.06317700    1.38889800
 H                  3.68230400   -1.64814500   -0.76808000
 C                  0.25227500   -1.74265700   -0.69024200
 H                  1.87215800   -3.08553300   -0.82521900
 C                 -0.31714800   -0.46717700   -0.48106600
 H                 -0.41557300   -2.60216400   -0.67683600
 C                 -1.76213200   -0.24219700   -0.33105200
 H                  0.21948600    0.37880700   -0.88359300
 C                 -2.64986000   -1.22697400    0.15317300
 C                 -2.29881300    1.02476400   -0.64406600
 C                 -4.00929000   -0.95641700    0.30366700
 C                 -4.52376200    0.30542300   -0.01114900
 C                 -3.65777900    1.29684400   -0.48471100
 H                 -1.63650800    1.79986200   -1.02051500
 H                 -4.04244600    2.28224800   -0.73394900
 H                 -4.67075500   -1.73231500    0.68209800
 H                 -5.58162300    0.51607100    0.11611400
 H                 -2.26688800   -2.20396200    0.43500600

B 2 24 B
B 3 19 B

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

-Au -Rh
SDD










