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#P BP86/Def2SVP/W06 DenFit EmpiricalDispersion=GD3BJ opt(nofreeze,ModR
edundant) opt(TS,noeigentest,calcfc,maxcycle=150,MaxStep=10) int(ultra
finegrid) gfinput gfoldprint iop(6/7=3) nosym pop=full pop=nbo6
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