%chk=000147982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147982

0 1
 Br   6.583800     -0.4463000      -1.632900    
 N   0.2590000      0.7610000      0.6961000    
 C   -1.015800       1.117300       1.318200    
 C  -0.4506000     -0.2717000       1.450300    
 C   -2.197900       1.321000      0.4077000    
 C   -1.098600      -1.381300      0.6650000    
 C    1.452900       1.305700       1.313900    
 C   -2.801600      0.2352000     -0.2897000    
 C   -2.238400      -1.149600     -0.1577000    
 C   -2.724500       2.620600      0.2539000    
 C  -0.5666000      -2.684400      0.7591000    
 C    2.701100      0.8783000      0.5974000    
 C   -3.917400      0.5231000      -1.104800    
 C   -2.787300      -2.257100     -0.8390000    
 C   -3.824300       2.870000     -0.5596000    
 C   -1.130600      -3.753600      7.1800001E-02
 C   -4.421500       1.819700      -1.237600    
 C   -2.242800      -3.539200     -0.7258000    
 C    3.348800     -0.2899000      0.9806000    
 C    3.195900       1.656700     -0.4422000    
 C    4.508700     -0.6857000      0.3142000    
 C    4.355700       1.260700      -1.108600    
 C    5.012000      8.9599997E-02 -0.7304000    
 H  -0.9621000       1.739100       2.208200    
 H  -5.3900000E-02 -0.5304000       2.428500    
 H    1.542100       1.049200       2.378900    
 H    1.397500       2.402800       1.294700    
 H   -2.265300       3.452900      0.7839000    
 H   0.3054000      -2.865000       1.384900    
 H   -4.429700     -0.2527000      -1.666300    
 H   -3.655800      -2.157800      -1.483400    
 H   -4.211800       3.879000     -0.6607000    
 H  -0.7034000      -4.747500      0.1614000    
 H   -5.281800       2.002900      -1.875100    
 H   -2.692200      -4.367300      -1.266600    
 H    2.963900     -0.9022000       1.791500    
 H    2.692200       2.569800     -0.7471000    
 H    5.007700      -1.601400      0.6210000    
 H    4.734400       1.876000      -1.920700    


%chk=000147982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147982

0 1
Br 6.736278 -1.160785 -0.925498
N 0.204909 0.958118 0.539750
C -1.071272 1.062972 1.363374
C -0.384251 -0.287869 1.203479
C -2.334343 1.316318 0.618294
C -0.992151 -1.293210 0.290870
C 1.420276 1.502862 1.208604
C -2.803926 0.371367 -0.349265
C -2.122918 -0.947449 -0.516747
C -3.053595 2.508978 0.863466
C -0.425508 -2.587350 0.214715
C 2.689680 0.832164 0.694045
C -3.979221 0.705987 -1.078196
C -2.610341 -1.931729 -1.421600
C -4.219335 2.818147 0.133558
C -0.929516 -3.549513 -0.683717
C -4.673400 1.910907 -0.851624
C -2.023187 -3.209036 -1.513458
C 3.896065 0.946092 1.428452
C 2.699327 0.114121 -0.526575
C 5.095908 0.366095 0.958698
C 3.888980 -0.477040 -1.010423
C 5.074147 -0.341016 -0.260761
H -0.974810 1.567741 2.336041
H 0.177605 -0.683107 2.061280
H 1.384853 1.410901 2.322172
H 1.447212 2.586801 0.976627
H -2.681570 3.208930 1.621483
H 0.433745 -2.829686 0.851641
H -4.373939 0.017973 -1.831466
H -3.467087 -1.710969 -2.064977
H -4.760998 3.751280 0.321723
H -0.474327 -4.543837 -0.743805
H -5.572040 2.137871 -1.435729
H -2.422260 -3.940477 -2.224766
H 3.909639 1.492701 2.379811
H 1.769038 0.022784 -1.095269
H 6.022401 0.460654 1.532255
H 3.887135 -1.031192 -1.953461


