%chk=000092669.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092669

0 1
 Br  -3.450800      -2.449100      -2.245700    
 O    6.118500      -1.608000      0.6752000    
 O    7.774900      0.2270000     -0.5981000    
 O   -5.032700       1.622500       2.504800    
 O   -3.058800      0.7332000       2.141400    
 O   -8.743300      0.6248000     -0.3575000    
 O   -8.492400     -0.7362000      -2.061500    
 O    9.258300      0.3135000      -2.367100    
 N    3.429500     -0.8118000       1.090500    
 N   -1.930600      6.0699999E-02 -0.3022000    
 N   -2.623200     -0.8028000      0.2824000    
 N   -4.266400      0.8848000       1.842200    
 N   -8.032000     -0.1295000      -1.064400    
 C    1.659500      0.7666000      0.4285000    
 C    2.087000     -0.5362000      0.7323000    
 C   0.3063000      0.9866000      7.7000000E-02
 C    3.889200      -2.125700       1.404200    
 C  -0.5794000     -0.1025000      3.9900001E-02
 C    1.193300      -1.606700      0.6904000    
 C    2.545300       1.855800      0.4656000    
 C  -0.1374000      -1.390100      0.3448000    
 C    5.360700      -2.085600       1.779700    
 C  -0.1211000       2.289400     -0.2268000    
 C    2.103300       3.143400      0.1607000    
 C   0.7727000       3.359900     -0.1848000    
 C    7.505200      -1.553000      0.9798000    
 C    8.260500      -1.060900     -0.2399000    
 C   -3.976300     -0.6389000     -6.0199998E-02
 C   -4.785600      0.1948000      0.7110000    
 C   -4.509500      -1.303900      -1.163800    
 C   -6.129900      0.3634000      0.3785000    
 C   -6.663700     -0.3014000     -0.7256000    
 C   -5.853500      -1.135000      -1.496700    
 C    8.365600      0.8030000      -1.688400    
 C    7.756700       2.148000      -1.946300    
 H    3.332700      -2.546800       2.249500    
 H    3.771300      -2.782400      0.5339000    
 H    4.102700     -5.7999998E-02   1.094100    
 H    1.484600      -2.628900      0.9107000    
 H    3.593600       1.755800      0.7279000    
 H  -0.7852000      -2.262400      0.3011000    
 H    5.514400      -1.425600       2.642400    
 H    5.697000      -3.094700       2.044900    
 H   -1.153200       2.497400     -0.5002000    
 H    2.797900       3.977900      0.1932000    
 H   0.4293000       4.362700     -0.4217000    
 H    7.656500     -0.8569000       1.813000    
 H    7.867300      -2.546400       1.266600    
 H    9.332300      -1.007600     -1.8999999E-02
 H    8.091100      -1.746100      -1.078800    
 H   -6.765100       1.012300      0.9770000    
 H   -6.253400      -1.661000      -2.360900    
 H    8.228600       2.597700      -2.824700    
 H    6.687300       2.038700      -2.143400    
 H    7.925200       2.801700      -1.086900    


%chk=000092669-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092669

0 1
Br -3.162783 0.139006 -2.856139
O 6.188439 -1.900316 0.953009
O 7.255264 0.450738 -0.382233
O -5.564630 -0.474572 3.268176
O -3.452402 0.227019 2.753871
O -9.053721 -0.163766 -0.072232
O -8.499555 -0.023624 -2.287193
O 8.795995 0.972250 -2.051574
N 3.600141 -1.229618 1.002906
N -1.671250 0.485784 -0.068831
N -2.668424 -0.237880 0.358633
N -4.656588 -0.111413 2.418299
N -8.189492 -0.084258 -1.031115
C 2.079771 0.411170 -0.007211
C 2.315195 -0.824184 0.739963
C 0.722947 0.826010 -0.268923
C 3.988353 -2.441428 1.732598
C -0.383056 0.014225 0.213878
C 1.199460 -1.584725 1.198994
C 3.154729 1.229631 -0.482373
C -0.113172 -1.172652 0.940958
C 5.453960 -2.288780 2.164052
C 0.491781 2.029728 -1.005669
C 2.901890 2.406962 -1.194767
C 1.560024 2.808423 -1.459682
C 7.530306 -1.363227 1.204139
C 8.044847 -0.781678 -0.099224
C -3.982099 -0.022398 -0.012784
C -5.018611 -0.090383 0.989516
C -4.440549 0.045669 -1.378858
C -6.385940 -0.126358 0.676765
C -6.760905 -0.064730 -0.674818
C -5.796795 0.026287 -1.710237
C 7.751753 1.254306 -1.425873
C 6.844371 2.438450 -1.671001
H 3.361654 -2.575528 2.633304
H 3.871400 -3.342855 1.096262
H 4.394342 -0.775398 0.540585
H 1.365126 -2.510621 1.756349
H 4.198822 0.956165 -0.289874
H -0.961520 -1.756896 1.311166
H 5.548692 -1.493229 2.934005
H 5.840800 -3.242600 2.576824
H -0.544341 2.320127 -1.198677
H 3.734200 3.026116 -1.546150
H 1.367435 3.730624 -2.018147
H 7.492959 -0.579247 1.989852
H 8.210604 -2.174949 1.539834
H 9.115175 -0.518122 -0.027345
H 7.909825 -1.491426 -0.934182
H -7.134343 -0.188485 1.470069
H -6.137074 0.084359 -2.747039
H 7.427394 3.264226 -2.105788
H 6.061065 2.151936 -2.397112
H 6.353330 2.763637 -0.740356


