%chk=000045013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045013

0 1
 Br   4.426900      0.7907000      0.5121000    
 O   -1.498900      0.4045000     -0.6069000    
 O   -3.629800      5.8400001E-02   1.150000    
 O   -1.257600      -2.124000     -0.3750000    
 N   0.7608000      -3.098900      0.1092000    
 C  -0.1619000      0.4753000     -0.3521000    
 C   0.5845000     -0.6794000     -0.1162000    
 C   -2.295100       1.515700     -0.2013000    
 C   0.4598000       1.723900     -0.3301000    
 C    1.952400     -0.5857000      0.1408000    
 C    1.827700       1.817700     -7.2800003E-02
 C    2.573900      0.6629000      0.1624000    
 C   -3.697000       1.031000      0.1142000    
 C  -4.5800000E-02  -1.992200     -0.1342000    
 H   -1.894800       1.974000      0.7125000    
 H   -2.330300       2.255900      -1.007800    
 H  -7.4299999E-02   2.646300     -0.5374000    
 H    2.583600      -1.445300      0.3302000    
 H    2.298500       2.797400     -6.5499999E-02
 H   -4.156300      0.5568000     -0.7587000    
 H   -4.333800       1.854900      0.4479000    
 H    1.751900      -3.089700      0.3096000    
 H   0.3441000      -4.024800      9.4499998E-02
 H   -3.051000     -0.6590000      0.8399000    


%chk=000045013-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045013

0 1
Br 4.501272 0.712921 0.918659
O -1.391014 0.510052 -0.887215
O -3.141154 0.070386 1.399788
O -1.364803 -1.939152 0.694835
N 0.398192 -3.000107 -0.350598
C -0.090384 0.620145 -0.407272
C 0.555762 -0.584864 -0.003912
C -2.414327 1.509462 -0.468585
C 0.624520 1.843179 -0.396513
C 1.921721 -0.547731 0.374226
C 1.978097 1.877410 -0.001480
C 2.616106 0.676888 0.372458
C -3.560932 0.713281 0.170384
C -0.226337 -1.867907 0.132232
H -1.978350 2.205365 0.272381
H -2.741317 2.060849 -1.370705
H 0.133162 2.764890 -0.723101
H 2.419279 -1.459574 0.718827
H 2.527334 2.823072 0.002579
H -3.948690 -0.015892 -0.573110
H -4.378062 1.409744 0.436306
H 1.257985 -2.947390 -0.893769
H -0.069625 -3.899648 -0.236175
H -2.490937 -0.668980 1.185060


