%mem=104GB
%nprocshared=24
%chk=COD.chk
#P B3LYP/Gen OPT=(MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

COD optimization

0 1
 C                 -1.15772662    1.27130677   -0.50671280
 C                 -1.68665754    0.07202382   -0.23622124
 C                  1.68683245   -0.07079154   -0.23615445
 C                 -1.15829906   -1.01580221    0.67188974
 C                  1.15813657   -1.27149120   -0.50637454
 H                 -1.71497861    1.90112442   -1.20285041
 H                 -0.75795616   -0.60276605    1.59860291
 H                 -2.61362026   -0.18063238   -0.75393438
 H                  2.61247574    0.17976648   -0.75521852
 H                 -1.99813785   -1.65619686    0.96739790
 H                  1.71583686   -1.90017478   -1.20305972
 C                  0.10586006    1.91994810   -0.00297743
 H                  0.58049657    2.42600663   -0.85743183
 H                 -0.16137928    2.72975049    0.69445183
 C                  1.15820746    1.01654006    0.67119863
 H                  0.75709698    0.60351042    1.60016938
 H                  1.99688300    1.65763765    0.96784575
 C                 -0.10703309   -1.92024188   -0.00272431
 H                 -0.57986314   -2.42534109   -0.85775133
 H                  0.16118406   -2.72976203    0.69324028

H C 0
6-31G*
****


