%chk=000022688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022688

0 1
 Br   4.311400       1.811800      0.6227000    
 O    1.883000      2.8400000E-02 -0.3213000    
 O   0.6742000      -1.776000      0.4552000    
 C   -2.978600      0.5257000     -0.2124000    
 C   -1.786500     -0.3845000      9.8899998E-02
 C   -4.294300     -0.1146000      0.2304000    
 C  -0.4516000      0.2430000     -0.3023000    
 C   -5.477500      0.8026000     -3.4699999E-02
 C   0.7366000     -0.6464000     -1.0200000E-02
 C    3.102000     -0.6775000     -6.8099998E-02
 C    4.281500      0.1876000     -0.4581000    
 H   -3.011700      0.7336000      -1.288700    
 H   -2.846600       1.486700      0.2993000    
 H   -1.770100     -0.6148000       1.171700    
 H   -1.911700      -1.341800     -0.4227000    
 H   -4.444800      -1.061400     -0.3011000    
 H   -4.254600     -0.3463000       1.301100    
 H  -0.4553000      0.4576000      -1.377000    
 H  -0.3147000       1.182600      0.2453000    
 H   -5.373300       1.745600      0.5115000    
 H   -5.565100       1.031100      -1.101700    
 H   -6.407600      0.3243000      0.2878000    
 H    3.113900      -1.596400     -0.6653000    
 H    3.153100     -0.9419000      0.9950000    
 H    5.234100     -0.3217000     -0.2945000    
 H    4.209200      0.5282000      -1.494500    


%chk=000022688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022688

0 1
Br 4.457723 1.657890 1.038411
O 1.922798 0.016670 -0.414566
O 0.735957 -1.805433 0.421591
C -3.008557 0.503831 -0.213021
C -1.792316 -0.374965 0.152370
C -4.344739 -0.072187 0.308542
C -0.468075 0.221122 -0.363053
C -5.561807 0.802742 -0.061160
C 0.736688 -0.651787 -0.061993
C 3.182081 -0.721391 -0.155889
C 4.335315 0.234143 -0.398143
H -3.067446 0.617256 -1.316246
H -2.868149 1.525838 0.197745
H -1.736475 -0.498674 1.251236
H -1.923643 -1.392265 -0.263206
H -4.484238 -1.094222 -0.098900
H -4.287840 -0.182766 1.410573
H -0.509577 0.373291 -1.460676
H -0.282745 1.223674 0.068120
H -5.461729 1.820791 0.360613
H -5.659754 0.903190 -1.158753
H -6.503232 0.369273 0.323368
H 3.247099 -1.571528 -0.865315
H 3.172556 -1.129037 0.869693
H 5.300462 -0.293847 -0.360779
H 4.224645 0.783891 -1.344260


