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

opt of Geom

0,2 
O    0.0406462331    -1.2419391069    -0.1854186125
C    1.1540713561    -0.4549742669    0.0246749381
C    0.7608947251    0.9927556303    -0.2257982927
C    -0.6940837198    0.984220096    0.267878359
C    -1.1609350687    -0.4259842569    -0.1058521956
H    1.4539591916    -0.5360032066    1.1633458268
H    0.8182168132    1.2032045904    -1.3012131885
H    1.4013679701    1.6992064465    0.3063833909
H    -1.311984876    1.7563341049    -0.1963229956
H    -0.7217003105    1.1206170183    1.3533834386
H    -1.6311422052    -0.4679872491    -1.0950197444
H    -1.8312854808    -0.8876522958    0.6243208682
H    2.0172731255    -0.8670277745    -0.5073467571
Br    1.9353554963    -0.3319679097    3.0625802948



