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

opt of Geom

0,2 
O    0.9381064778    -1.1440964911    0.1024334142
C    0.4053548348    -0.2264259184    1.0014926291
C    1.0160226997    1.1214593002    0.8085987591
C    1.4867330097    1.0364505257    -0.6580142277
C    1.8497174884    -0.4397484558    -0.796897889
H    -0.2817880856    -1.8359658084    -0.8271629988
H    1.8740725869    1.286957803    1.482685373
H    0.305680506    1.9371043274    0.9832968438
H    2.3352807132    1.6886523458    -0.8788461877
H    0.6639746064    1.2882969024    -1.3350265301
H    2.8680681768    -0.6521827038    -0.4544007969
H    1.7099723371    -0.8533756644    -1.7977731557
H    0.0549325285    -0.6691544369    1.9272614591
Br    -1.3303470998    -2.3209604457    -1.7509708322



