%chk=000126178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126178

0 1
 Br  -6.738700      -3.583000      0.9898000    
 O   0.6776000       1.397100      0.8934000    
 O    3.794200       2.721800     -0.3116000    
 O    2.054800       4.092300       1.263500    
 O   -1.862700       1.836300     -0.2099000    
 O   -2.198000      0.9745000      -2.318100    
 N    2.354600     -8.4799998E-02  0.1049000    
 N    2.030100      -2.019000     -0.9591000    
 N    4.587000     -0.4653000      0.9846000    
 N    5.429400      -2.665500      0.3478000    
 N    4.154000      -4.194800     -0.9796000    
 C    2.427000       2.370200     -0.3720000    
 C    1.507200       3.480900      9.5399998E-02
 C    2.083000       1.259600      0.6086000    
 C   0.2463000       2.716200      0.4858000    
 C  -0.7368000       2.565000     -0.6667000    
 C    3.490800     -0.8201000      0.2975000    
 C    1.507700     -0.8491000     -0.6555000    
 C    3.269500      -2.014200     -0.3699000    
 C    4.292300      -2.956500     -0.3289000    
 C   -2.507300       1.076500      -1.141100    
 C    5.504900      -1.455800      0.9536000    
 C   -3.664500      0.3675000     -0.5388000    
 C   -4.759200      8.5299999E-02  -1.329900    
 C   -3.609100      1.2500000E-02  0.7935000    
 C   -5.846200     -0.5809000     -0.7640000    
 C   -4.696000     -0.6539000       1.359600    
 C   -5.814600     -0.9506000      0.5807000    
 C   -6.977300      -1.662400       1.185900    
 H    2.185000       2.081800      -1.401400    
 H    1.356000       4.264000     -0.6530000    
 H    2.626100       1.358400       1.556600    
 H  -0.2597000       3.160800       1.350300    
 H  -0.2493000       2.049500      -1.502200    
 H   -1.075200       3.549300      -1.007700    
 H    3.987100       3.025500      0.5917000    
 H    1.419900       4.765400       1.562900    
 H   0.5292000     -0.5058000     -0.9627000    
 H    6.428900      -1.256600       1.485800    
 H    4.911600      -4.862600     -0.9357000    
 H    3.306700      -4.414000      -1.485700    
 H   -4.796700      0.3707000      -2.377000    
 H   -2.744500      0.2197000       1.417100    
 H   -6.711800     -0.8060000      -1.381400    
 H   -4.657600     -0.9396000       2.407500    
 H   -7.076100      -1.457000       2.256100    
 H   -7.921000      -1.402700      0.6968000    


%chk=000126178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126178

0 1
Br -6.202850 -3.340421 2.497001
O 0.596475 1.516415 0.769007
O 3.819381 2.793828 -0.535602
O 2.424322 4.061060 1.364766
O -2.005358 2.358303 -0.057287
O -1.439465 0.840284 -1.743282
N 2.170806 0.009806 -0.209536
N 1.874262 -1.758592 -1.640641
N 4.015907 -0.905820 1.188172
N 4.688982 -3.158435 0.459208
N 3.674319 -4.276820 -1.360719
C 2.405548 2.529405 -0.458214
C 1.594573 3.667852 0.216770
C 2.025138 1.303157 0.427049
C 0.283024 2.965130 0.643770
C -0.821945 3.169947 -0.406835
C 3.107225 -0.962449 0.174219
C 1.456809 -0.525599 -1.302228
C 2.911917 -2.039482 -0.728588
C 3.757889 -3.173176 -0.553924
C -2.177115 1.164918 -0.780524
C 4.761679 -2.049674 1.259038
C -3.338645 0.377175 -0.288159
C -3.625123 -0.855481 -0.931373
C -4.153044 0.818370 0.787341
C -4.715666 -1.634520 -0.506107
C -5.245322 0.035837 1.204826
C -5.541502 -1.197574 0.564497
C -6.717678 -2.015854 1.000101
H 2.064969 2.365178 -1.494210
H 1.425255 4.526797 -0.461227
H 2.648386 1.282281 1.341856
H -0.063938 3.313918 1.634647
H -0.477908 2.885853 -1.417503
H -1.171772 4.217163 -0.396817
H 4.092764 3.190562 0.335109
H 2.071622 4.876553 1.795606
H 0.617484 -0.001502 -1.756687
H 5.514386 -2.086658 2.052120
H 4.300816 -5.060640 -1.191531
H 2.988805 -4.302555 -2.112296
H -2.982398 -1.181625 -1.755171
H -3.922011 1.765507 1.281371
H -4.928488 -2.590822 -0.997349
H -5.870487 0.373273 2.039593
H -7.520609 -1.420611 1.457365
H -7.112820 -2.669664 0.209878


