%mem=100GB
%nprocshared=24
#P B3LYP/Def2TZVPP SCRF(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

opt of Geom

0,2 
O    0.0151495764    -1.2430339023    -0.2077385651
C    1.1449301242    -0.464277869    0.0097426674
C    0.7573756262    0.9867080241    -0.2409006396
C    -0.6952608267    0.9884480768    0.2587608049
C    -1.1746379752    -0.4164928704    -0.1213168596
H    1.4532328075    -0.5625320475    1.1151415898
H    0.8080848618    1.1979649159    -1.3161187436
H    1.4042251589    1.689848269    0.2884042949
H    -1.3084565537    1.7683172421    -0.1991345729
H    -0.7193671151    1.1201628447    1.3451881314
H    -1.6513664052    -0.4452330891    -1.1084571477
H    -1.8509670711    -0.8718304559    0.6081686687
H    1.9909291362    -0.8712230791    -0.5529062927
I    2.0567819057    -0.3340242394    3.3067619941

C H I O 0
Def2TZVPP
****

I 0
Def2


