%chk=000098064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098064

0 1
 Br  -2.801500      -1.787400      0.9438000    
 O    1.471200       1.779100       1.438800    
 O    2.973800       1.721300     -0.2494000    
 O   -1.780800      0.3184000      -1.646700    
 N  -0.3412000      0.3851000      0.1755000    
 C   0.8903000      0.5305000     -0.5570000    
 C    1.513800     -0.8324000     -0.8800000    
 C    1.948000      -1.591600      0.3772000    
 C    1.884100       1.392300      0.2079000    
 C    2.599000      -2.920600      2.6200000E-02
 C   -1.587500      0.2900000     -0.4330000    
 C   -2.714500      0.1275000      0.5691000    
 C   -4.054600      0.5877000      2.7799999E-02
 H   0.6635000       1.059100      -1.490600    
 H   0.7965000      -1.441900      -1.443900    
 H    2.387000     -0.6862000      -1.528300    
 H    1.083500      -1.782900       1.022900    
 H    2.664600      -1.002900      0.9600000    
 H  -0.2860000      0.3281000       1.188600    
 H    2.898000      -3.448700      0.9370000    
 H    3.492500      -2.769900     -0.5879000    
 H    1.905600      -3.562800     -0.5265000    
 H   -2.481500      0.6273000       1.513900    
 H   -4.022000       1.654200     -0.2201000    
 H   -4.850700      0.4369000      0.7650000    
 H   -4.339300      4.7899999E-02 -0.8828000    
 H    2.141300       2.333200       1.893000    


%chk=000098064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098064

0 1
Br -2.652977 0.893867 2.424612
O 1.695500 1.463222 1.927941
O 3.273429 1.650883 0.231016
O -1.474784 0.795322 -1.630210
N -0.275682 0.759780 0.363819
C 1.025576 0.812325 -0.320221
C 1.463452 -0.570769 -0.903263
C 1.666231 -1.673378 0.157697
C 2.117217 1.357223 0.592752
C 2.002685 -3.034413 -0.488935
C -1.437724 0.762271 -0.356557
C -2.791683 0.706061 0.373497
C -3.569118 -0.576067 0.042426
H 0.934688 1.506650 -1.178636
H 0.682909 -0.871829 -1.626029
H 2.399362 -0.413705 -1.472180
H 0.748874 -1.770131 0.771245
H 2.483475 -1.385113 0.849275
H -0.297737 0.791528 1.387977
H 2.154761 -3.816169 0.277129
H 2.926591 -2.969045 -1.093566
H 1.187070 -3.368618 -1.157118
H -3.364179 1.603878 0.089532
H -3.659807 -0.652013 -1.056386
H -4.578118 -0.546191 0.484395
H -3.044870 -1.471471 0.416844
H 2.437959 1.807201 2.493442


