%chk=000097780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097780

0 1
 Br -0.1317000      -3.048300     -3.2099999E-02
 O    1.912700      0.4386000     -0.4115000    
 O    2.161900      -1.404500      0.9454000    
 C   0.2418000      -1.200700     -0.5636000    
 C  -0.9379000     -0.3483000     -0.2379000    
 C   -1.966400     -0.1961000      -1.168000    
 C   -1.013200      0.2963000      0.9969000    
 C    1.540400     -0.7770000      9.8600000E-02
 C   -3.069800      0.6008000     -0.8634000    
 C   -2.116900       1.093100       1.301400    
 C    3.128300      0.9828000      0.1122000    
 C   -3.145200       1.245300      0.3712000    
 C    3.396100       2.317900     -0.5493000    
 H   0.4211000      -1.255300      -1.643600    
 H   -1.920500     -0.6931000      -2.133400    
 H  -0.2352000      0.1864000       1.747100    
 H   -3.870700      0.7191000      -1.587400    
 H   -2.177400       1.592600       2.263900    
 H    3.030000       1.119400       1.194800    
 H    3.955400      0.2947000     -9.4599999E-02
 H   -4.004800       1.865100      0.6087000    
 H    4.320200       2.763600     -0.1709000    
 H    3.478600       2.200400      -1.634900    
 H    2.568300       3.011000     -0.3667000    


%chk=000097780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097780

0 1
Br 0.502421 -2.456084 -0.609022
O 2.331881 0.641953 -0.624116
O 1.461840 0.188011 1.490571
C 0.192258 -0.386623 -0.577365
C -1.194409 -0.063646 -0.104996
C -2.182738 0.233043 -1.082375
C -1.551759 -0.050663 1.270790
C 1.357690 0.156624 0.244200
C -3.503388 0.544074 -0.696074
C -2.873431 0.259874 1.652406
C 3.578347 1.170326 0.018416
C -3.852367 0.557717 0.674409
C 4.478343 1.665961 -1.107461
H 0.344692 -0.130488 -1.634532
H -1.914771 0.214291 -2.146034
H -0.792676 -0.279606 2.024227
H -4.255902 0.772535 -1.458544
H -3.142111 0.268377 2.714405
H 3.289483 1.972572 0.721226
H 4.033496 0.348428 0.600271
H -4.878106 0.795848 0.977395
H 5.418931 2.062562 -0.683731
H 4.728918 0.846349 -1.801954
H 3.988457 2.472365 -1.679212


