%chk=000097938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097938

0 1
 Br   1.344500      -3.281900     -0.3192000    
 O    1.110200       3.390800      0.7813000    
 O    2.226000       2.553900      -1.007600    
 O    2.178500     -0.4707000       1.575200    
 N    1.195100      7.8900002E-02 -0.4557000    
 C   0.4476000       1.229000     -3.9999999E-04
 C  -0.8333000       1.376800     -0.8360000    
 C   -1.934700      0.4412000     -0.3934000    
 C    1.366500       2.430000     -0.1444000    
 C    2.004400     -0.6809000      0.3765000    
 C   -2.023600     -0.8182000     -0.9633000    
 C   -2.833000      0.8612000      0.5736000    
 C    2.659600      -1.838300     -0.3525000    
 C   -3.039700      -1.681900     -0.5548000    
 C   -3.849100     -2.7000001E-03  0.9821000    
 C    3.933400      -2.312900      0.3207000    
 C   -3.952400      -1.274300      0.4179000    
 H   0.2248000       1.098300       1.065700    
 H  -0.6276000       1.230100      -1.905200    
 H   -1.204200       2.408400     -0.7606000    
 H    1.171300     -0.1421000      -1.447300    
 H   -1.319400      -1.144400      -1.723100    
 H   -2.758900       1.848300       1.020500    
 H    2.840700      -1.596300      -1.403800    
 H   -3.120100      -2.671900     -0.9940000    
 H   -4.559300      0.3143000       1.740100    
 H    4.677500      -1.509300      0.3424000    
 H    4.369800      -3.162700     -0.2154000    
 H    3.760100      -2.627700       1.356200    
 H   -4.743400      -1.947000      0.7363000    
 H    1.696800       4.169300      0.6720000    


%chk=000097938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097938

0 1
Br 3.284376 -1.702261 -1.860306
O 0.758232 4.097512 -0.467959
O 2.088644 2.875328 -1.933657
O 1.611617 -0.104131 1.661222
N 1.428949 0.505877 -0.584157
C 0.629570 1.698942 -0.312024
C -0.858881 1.556732 -0.800522
C -1.557668 0.345897 -0.201649
C 1.264847 2.907600 -0.995043
C 1.849174 -0.317650 0.430032
C -1.869037 -0.778994 -1.006084
C -1.905419 0.316250 1.173240
C 2.606642 -1.610908 0.087822
C -2.514691 -1.909063 -0.452703
C -2.549259 -0.809416 1.730196
C 1.749370 -2.852193 0.378110
C -2.856527 -1.927137 0.918688
H 0.633515 1.851985 0.782020
H -0.862313 1.489515 -1.905148
H -1.379083 2.492373 -0.523276
H 1.749591 0.328826 -1.541719
H -1.608956 -0.768884 -2.072029
H -1.667098 1.174287 1.813733
H 3.542099 -1.621167 0.668979
H -2.752880 -2.768330 -1.089857
H -2.808652 -0.817121 2.794629
H 1.433070 -2.814676 1.436626
H 2.328055 -3.774553 0.208387
H 0.845889 -2.871098 -0.254367
H -3.357974 -2.800424 1.350655
H 1.152897 4.874180 -0.950040


