%chk=000077722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077722

0 1
 Br  -1.288600       3.359800     -9.9399999E-02
 O    1.034800      -2.214500      0.2787000    
 O    3.431100       1.031900     -0.4136000    
 O    3.375900     -0.9045000      0.8297000    
 O   -3.567800      -1.633500      4.9500000E-02
 N   -2.813400      0.5980000     -3.0600000E-02
 C   -1.422100      0.4787000      3.6899999E-02
 C    1.346300      0.1620000      0.1755000    
 C   0.5144000     -0.9576000      0.1937000    
 C  -0.8698000     -0.7991000      0.1246000    
 C  -0.5902000       1.598200      1.8600000E-02
 C   0.7939000       1.439800      8.8000000E-02
 C    2.793700      1.8200001E-02  0.2467000    
 C   -3.768000     -0.4254000     -2.2399999E-02
 C    1.338300      -2.874000     -0.9485000    
 C   -5.170900      0.1210000     -0.1115000    
 C    4.862400       1.000900     -0.4160000    
 H   -1.443000      -1.714200      0.1458000    
 H    1.430500       2.321800      8.7600000E-02
 H   -3.161300       1.552500     -9.3400002E-02
 H    2.051100      -2.290800      -1.540000    
 H   0.4239000      -3.044300      -1.525600    
 H    1.789000      -3.842300     -0.7143000    
 H   -5.377400      0.7518000      0.7577000    
 H   -5.889300     -0.7033000     -0.1317000    
 H   -5.282500      0.7104000      -1.025900    
 H    5.242400       1.063700      0.6079000    
 H    5.220800       1.866800     -0.9787000    
 H    5.218800      8.9800000E-02 -0.9055000    


%chk=000077722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077722

0 1
Br -1.343421 3.322270 -0.570679
O 0.904959 -2.373448 0.280770
O 3.447488 1.236215 -0.162868
O 3.547333 -1.080437 -0.040177
O -3.724013 -1.538967 0.285665
N -2.884820 0.630782 -0.057407
C -1.493518 0.406129 -0.092282
C 1.368705 0.057833 -0.169485
C 0.492436 -1.061632 0.026007
C -0.907423 -0.872555 0.074180
C -0.610611 1.507894 -0.312141
C 0.773073 1.340950 -0.342434
C 2.851414 -0.037406 -0.121887
C -3.918859 -0.301131 0.126166
C 1.548512 -3.137226 -0.813175
C -5.318180 0.306190 0.127805
C 4.925917 1.241141 -0.102933
H -1.551192 -1.736976 0.243331
H 1.431513 2.199489 -0.485557
H -3.164908 1.608436 -0.187367
H 2.542389 -2.723156 -1.044533
H 0.892290 -3.140889 -1.704523
H 1.646807 -4.158467 -0.416132
H -5.771935 0.157301 1.123540
H -5.944458 -0.237771 -0.599084
H -5.340245 1.382665 -0.113640
H 5.273038 0.757723 0.825557
H 5.202855 2.304541 -0.124683
H 5.347854 0.702302 -0.968234


