%nproc=20
%Mem=40000MB
%Chk=AC01-Br-iPr2O2H3
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                 -1.73561755    0.58776196    5.03182204
 H                 -2.34361646    0.78480966    4.14990482
 H                 -1.02042000    2.72393100    4.88203700
 O                 -0.54772000    3.53608400    4.12028600
 H                  0.27564500    3.91239900    4.48370100
 C                 -1.46595000    4.59709900    3.70341900
 H                 -2.35493300    4.08944200    3.33257600
 O                 -1.46596100    1.89597900    5.63168600
 H                 -0.90157500    1.80760932    6.42248869
 C                 -0.79280353    5.39340273    2.57011666
 H                 -1.47640319    6.12552828    2.19384057
 H                  0.08094712    5.88208544    2.94780568
 H                 -0.51524906    4.72587017    1.78127966
 C                 -1.81055267    5.50674721    4.89731562
 H                 -2.51459517    6.25053205    4.58746358
 H                 -2.23612177    4.91813377    5.68301605
 H                 -0.92037267    5.98360386    5.25099244
 C                 -2.52928888   -0.24775199    6.05339057
 H                 -2.80803846   -1.18128141    5.61098635
 H                 -1.92147463   -0.42883928    6.91517316
 H                 -3.40980032    0.28634557    6.34380302
 C                 -0.41666150   -0.10674413    4.64501945
 H                 -0.63151692   -1.04159417    4.17089654
 H                  0.13079873    0.51781001    3.97039405
 H                  0.16715083   -0.27899445    5.52501547

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






