%chk=000043739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043739

0 1
 Br   7.084400      0.9029000      0.3067000    
 O  -0.9452000     -0.7779000     -0.2201000    
 N   -4.473300      0.1992000      0.2084000    
 N   0.2512000     -8.9500003E-02  2.0000000E-02
 C   -3.332200     -0.6467000     -0.1398000    
 C   -5.727500     -0.5238000      1.4000000E-03
 C   -4.456700       1.430300     -0.5808000    
 C   -2.024100      8.5100003E-02  0.1149000    
 C   -5.762200      -1.806600      0.8144000    
 C   -5.601200       2.349300     -0.1889000    
 C    2.642900     -0.4407000     -0.1417000    
 C    1.240400     -0.8658000     -0.2814000    
 C    3.657300      -1.321300     -0.4832000    
 C    2.923600      0.8319000      0.3305000    
 C    4.986100     -0.9191000     -0.3493000    
 C    4.252500       1.234200      0.4645000    
 C    5.283800      0.3586000      0.1245000    
 H   -3.374400     -0.9821000      -1.184900    
 H   -3.292400      -1.553200      0.4739000    
 H   -6.577400      7.1099997E-02  0.3513000    
 H   -5.898200     -0.7549000      -1.057700    
 H   -3.559400       2.020900     -0.3789000    
 H   -4.490200       1.230600      -1.659100    
 H   -1.941900      0.3792000       1.168500    
 H   -1.909100      0.9701000     -0.5165000    
 H   -5.141800      -2.596300      0.3794000    
 H   -5.455500      -1.640300       1.852800    
 H   -6.786400      -2.196500      0.8376000    
 H   -6.566100       2.002300     -0.5709000    
 H   -5.671100       2.471300      0.8976000    
 H   -5.437000       3.344300     -0.6182000    
 H    1.064800      -1.889800     -0.6599000    
 H    3.438000      -2.319000     -0.8531000    
 H    2.139900       1.532900      0.6025000    
 H    5.777900      -1.613600     -0.6184000    
 H    4.467600       2.233200      0.8353000    


%chk=000043739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043739

0 1
Br 7.206188 0.738930 0.897647
O -0.948613 -0.728751 -0.586713
N -4.554689 0.149659 -0.141660
N 0.285909 -0.156637 -0.075347
C -3.362762 -0.605206 -0.603222
C -5.741520 -0.710866 0.106000
C -4.850318 1.331685 -0.996936
C -2.092594 0.009804 0.002094
C -5.622874 -1.535763 1.401590
C -5.597436 2.448646 -0.243232
C 2.691794 -0.421993 -0.200495
C 1.321551 -0.809003 -0.561845
C 3.782393 -1.150056 -0.749832
C 2.967901 0.660732 0.683721
C 5.116320 -0.815200 -0.432220
C 4.293390 1.004699 1.008699
C 5.355915 0.261131 0.445753
H -3.273658 -0.624087 -1.715101
H -3.439570 -1.655523 -0.271871
H -6.622246 -0.048885 0.192008
H -5.941648 -1.391859 -0.760128
H -3.885933 1.736392 -1.357475
H -5.427631 1.038170 -1.910391
H -2.085553 -0.105103 1.100430
H -1.995811 1.082688 -0.248015
H -4.764520 -2.231754 1.371385
H -5.485534 -0.864210 2.266809
H -6.536128 -2.139261 1.560526
H -6.581918 2.109906 0.126964
H -5.004511 2.781523 0.626299
H -5.770740 3.314713 -0.909066
H 1.181245 -1.658045 -1.250635
H 3.589542 -1.986336 -1.432314
H 2.132422 1.224676 1.110026
H 5.948480 -1.380946 -0.860255
H 4.500256 1.836427 1.688199


