%nprocshared=24
%mem=115GB
%chk=PhBr_bb
#p B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp SCRF(SMD,Solvent=Benzene)

PhBr bb

0 1
 C                 -2.12396200   -0.25601400    0.00012500
 C                 -0.72931800   -0.23686500    0.00059100
 C                 -0.01520900    0.96127900    0.00001600
 C                 -0.72174600    2.16647900   -0.00104600
 C                 -2.11808200    2.16896500   -0.00152100
 C                 -2.81424800    0.95859400   -0.00094000
 H                 -2.65938000   -1.19902800    0.00056700
 H                  1.06917600    0.95323800    0.00037700
 H                 -0.17295300    3.10420800   -0.00150400
 H                 -2.66110700    3.10968300   -0.00234200
 H                 -3.90074400    0.95233300   -0.00131600
 Br                 0.23613500   -1.90899600    0.00204900

Br C H 0
6-311+G(d,p)
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