%chk=000176577.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176577

0 1
 Br  -2.619600       3.806000       2.124800    
 O    2.181400       2.569200      0.5389000    
 O    3.678700      -2.969600      0.3872000    
 O    4.011400       1.533100     -0.3237000    
 O    4.726400     -0.9525000      0.4042000    
 N   0.2694000      -1.041800     -0.1300000    
 N    1.304700      -1.881700      4.0199999E-02
 C   0.6234000      0.2776000     -0.1577000    
 C    1.989700      0.2972000      6.8000001E-03
 C   -1.020300      -1.560200     -0.2601000    
 C  -0.3106000       1.363500     -0.3299000    
 C    2.352800      -1.058000      0.1234000    
 C   -1.799400      -1.750200      0.8732000    
 C   -1.505400      -1.878600      -1.521500    
 C   -3.088000      -2.268200      0.7425000    
 C  -0.9076000       1.954400      0.7839000    
 C  -0.6166000       1.822900      -1.611100    
 C    2.821200       1.464600      4.3600000E-02
 C   -2.794000      -2.396600      -1.652000    
 C   -3.585200      -2.591500     -0.5200000    
 C   -1.810400       3.004400      0.6165000    
 C   -1.519300       2.872900      -1.778400    
 C    3.668100      -1.603500      0.3113000    
 C   -3.934400      -2.477300       1.952600    
 C   -2.116200       3.463800     -0.6647000    
 H   -1.412900      -1.496700       1.857800    
 H  -0.8988000      -1.731300      -2.411300    
 H  -0.6690000       1.595600       1.783400    
 H  -0.1599000       1.373300      -2.489500    
 H   -3.181400      -2.647500      -2.635100    
 H   -4.588100      -2.994000     -0.6353000    
 H   -1.757500       3.230400      -2.775900    
 H   -4.483600      -1.560500       2.189300    
 H   -4.655500      -3.287100       1.797900    
 H   -3.322400      -2.754500       2.817600    
 H   -2.817400       4.280900     -0.8126000    
 H    2.770000       3.353900      0.5521000    
 H    4.586500      -3.318600      0.5159000    


%chk=000176577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176577

0 1
Br -1.635508 4.583471 2.411910
O 2.475126 2.386059 1.252144
O 4.107124 -2.663277 -0.752363
O 3.909006 1.742554 -0.458224
O 4.778550 -0.985011 0.712700
N 0.321343 -1.085071 -0.239393
N 1.456176 -1.885762 -0.314768
C 0.623726 0.260135 0.023133
C 2.031904 0.314003 0.132447
C -0.963542 -1.730020 -0.366821
C -0.391344 1.338302 -0.029818
C 2.492896 -1.026497 -0.098002
C -2.041813 -1.347776 0.460353
C -1.099021 -2.776767 -1.307581
C -3.298489 -1.991004 0.338561
C -0.506769 2.278589 1.027912
C -1.252618 1.443285 -1.156087
C 2.902599 1.505385 0.243601
C -2.346070 -3.422632 -1.424541
C -3.438676 -3.028875 -0.617319
C -1.479878 3.291571 0.939907
C -2.215055 2.470521 -1.221132
C 3.886834 -1.515719 0.012145
C -4.453774 -1.586841 1.237603
C -2.342133 3.408356 -0.169070
H -1.907540 -0.559140 1.207621
H -0.238385 -3.074551 -1.912185
H 0.162345 2.212348 1.887786
H -1.158910 0.729667 -1.980823
H -2.467420 -4.234332 -2.149614
H -4.404605 -3.536137 -0.723135
H -2.870226 2.551399 -2.094404
H -4.594186 -0.490634 1.246825
H -5.400284 -2.049274 0.910000
H -4.273141 -1.900690 2.283282
H -3.087560 4.207158 -0.216945
H 3.084002 3.174533 1.265087
H 5.045514 -2.963527 -0.606489


