%nproc=20
%Mem=40000MB
%Chk=AC01-Br-iPrOH
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 C                 -1.10817100    0.82807600   -0.01521800
 H                 -2.20784400    0.79326900   -0.04598700
 O                 -0.61482900    1.46561400    1.15769600
 H                 -0.94025800    2.37888800    1.15235400
 C                 -0.58291833   -0.61939983    0.00765891
 H                 -0.93121496   -1.13897315   -0.86046148
 H                  0.48703307   -0.61052671    0.01268494
 H                 -0.93962500   -1.11441295    0.88664832
 C                 -0.60752588    1.49964315   -1.30748424
 H                 -0.95482973    0.94608839   -2.15474876
 H                 -0.98219969    2.50065294   -1.35747355
 H                  0.46230250    1.51879625   -1.30810331

C H O 0
6-31G*
****






