%chk=000133290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133290

0 1
 Br  -6.576500       2.250700     -4.0500000E-02
 O    6.518700      0.7036000      -1.210700    
 O   -5.799100     -0.9519000      -1.066100    
 N   -4.060600     -5.3300001E-02  0.1858000    
 C   -1.038300      0.5271000      0.2374000    
 C   -1.684700     -0.8741000      0.2870000    
 C   0.4406000      0.5543000      0.6833000    
 C    1.315600     -0.5107000     -2.8600000E-02
 C    2.830100     -0.4736000      0.4226000    
 C  -0.7743000      -1.924600     -0.3983000    
 C   -2.975800     -0.6645000     -0.5518000    
 C   0.6688000      -1.904700      0.1075000    
 C   -1.312100       1.023600      -1.193700    
 C    1.044700       1.955600      0.5103000    
 C   -2.536000      0.2537000      -1.698800    
 C    3.347200      0.9696000      0.3911000    
 C   -1.974900      -1.317700       1.732400    
 C    2.470600       2.013600       1.039500    
 C    3.651500      -1.353700     -0.5657000    
 C    3.023800      -1.019400       1.856200    
 C    5.152400      -1.123300     -0.4850000    
 C    4.521800       1.336700     -0.1482000    
 C    5.470700      0.3345000     -0.6845000    
 C   -5.391500     -0.2531000     -0.1400000    
 C   -6.332900      0.5017000      0.7589000    
 H   -1.590900       1.195000      0.9149000    
 H   0.4435000      0.3289000       1.758200    
 H    1.305900     -0.2636000      -1.100400    
 H  -0.7484000      -1.770900      -1.484000    
 H   -1.192800      -2.928700     -0.2526000    
 H   -3.342600      -1.617200     -0.9524000    
 H   0.6914000      -2.240700       1.148900    
 H    1.234600      -2.644100     -0.4692000    
 H  -0.4693000      0.8476000      -1.869700    
 H   -1.503600       2.102600      -1.195900    
 H   0.4339000       2.692500       1.045700    
 H    1.043100       2.248800     -0.5468000    
 H   -3.327200      0.9366000      -2.027600    
 H   -2.249300     -0.3440000      -2.572300    
 H   -2.545700      -2.253000       1.742400    
 H   -1.058000      -1.482800       2.305800    
 H   -2.553200     -0.5694000       2.284300    
 H    2.468900       1.857100       2.125100    
 H    2.865400       3.023900      0.8761000    
 H    3.332300      -1.142200      -1.595900    
 H    3.454900      -2.418400     -0.3935000    
 H    2.356800     -0.5362000       2.577000    
 H    2.836100      -2.097300       1.906000    
 H    4.047600     -0.8586000       2.213800    
 H   -3.832600      0.6214000      0.9098000    
 H    5.646600      -1.698500      -1.275900    
 H    5.563000      -1.445200      0.4771000    
 H    4.847600       2.371400     -0.1618000    
 H   -5.930600      0.6388000       1.765000    
 H   -7.305200      6.6000000E-03  0.8043000    


%chk=000133290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133290

0 1
Br -6.182041 2.144466 1.254341
O 6.712212 0.529645 -1.068027
O -5.338324 -1.881655 0.265165
N -4.130302 0.093857 -0.071557
C -1.024222 0.649308 0.095078
C -1.731367 -0.744267 0.152648
C 0.441506 0.642518 0.617528
C 1.309057 -0.460668 -0.055008
C 2.814259 -0.481888 0.447488
C -0.818269 -1.818266 -0.514745
C -2.987195 -0.532513 -0.769816
C 0.612822 -1.840984 0.069799
C -1.215119 1.133566 -1.378278
C 1.092110 2.034395 0.456507
C -2.482779 0.394124 -1.918307
C 3.387106 0.946809 0.407373
C -2.116217 -1.179214 1.583372
C 2.535825 2.047227 1.012884
C 3.634011 -1.408974 -0.504999
C 2.926484 -1.000913 1.918076
C 5.162272 -1.241617 -0.382200
C 4.627147 1.233795 -0.106278
C 5.584118 0.213315 -0.578646
C -5.205041 -0.619799 0.376490
C -6.363106 0.117027 1.054606
H -1.592706 1.340871 0.756967
H 0.392730 0.418237 1.706078
H 1.365360 -0.215172 -1.139950
H -0.750399 -1.631105 -1.605367
H -1.288983 -2.814094 -0.394390
H -3.358653 -1.505886 -1.137726
H 0.569756 -2.144958 1.133089
H 1.198597 -2.617175 -0.456976
H -0.333524 0.884013 -1.995957
H -1.331231 2.230426 -1.426801
H 0.484016 2.800075 0.977983
H 1.116707 2.314220 -0.614990
H -3.278553 1.094096 -2.229956
H -2.236856 -0.211200 -2.807585
H -2.749907 -2.084326 1.559244
H -1.224355 -1.405936 2.193687
H -2.681027 -0.385670 2.105577
H 2.486751 1.899219 2.113030
H 3.013194 3.030195 0.847097
H 3.339464 -1.184688 -1.550492
H 3.366919 -2.465080 -0.315837
H 2.273446 -0.437900 2.607900
H 2.647427 -2.067415 1.982140
H 3.962048 -0.902413 2.289325
H -4.129433 1.107811 0.075082
H 5.699472 -1.869038 -1.115200
H 5.510124 -1.560435 0.621831
H 4.987059 2.270684 -0.139642
H -6.494193 -0.261460 2.079175
H -7.286205 -0.034690 0.475669


