%chk=000002452.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002452

0 1
 Br  -5.841200      6.8400003E-02  0.8506000    
 O  -0.4916000      -1.869400       1.654400    
 O  -0.6145000      -2.314100      -1.869900    
 O   -1.746700      -3.332000     -0.1323000    
 N    2.653700       1.708000     -0.3228000    
 N  -0.5137000     -0.1938000      4.7300000E-02
 C    2.318300     -0.6848000      0.3705000    
 C    1.839100      0.4867000     -0.5134000    
 C    1.372500      -1.887500      7.0699997E-02
 C   0.4070000      0.7630000     -0.2621000    
 C    3.772000      -1.001200     -5.6699999E-02
 C  -0.1406000      -1.588000      0.3060000    
 C    2.295600     -0.3604000       1.884800    
 C    4.659300      0.2533000     -4.1800000E-02
 C    4.028000       1.444700     -0.7793000    
 C  -0.1842000       1.997000     -0.2955000    
 C    2.056500       2.861900      -1.041300    
 C   0.6334000       3.221400     -0.5249000    
 C   -1.756300      0.4094000      0.1533000    
 C   -1.567200       1.791500     -4.9199998E-02
 C    2.832600      -1.521200       2.685000    
 C  -0.9377000      -2.520400     -0.5614000    
 C   -3.028500     -0.1219000      0.4220000    
 C   -2.680600       2.653200      3.0999999E-02
 C   -4.114900      0.7553000      0.4886000    
 C   -3.945700       2.122500      0.2979000    
 C   -1.304600      -3.141800      -2.811600    
 H    1.908000      0.1856000      -1.571800    
 H    1.671600      -2.787200      0.6182000    
 H    1.541900      -2.152800     -0.9822000    
 H    3.758500      -1.373500      -1.091300    
 H    4.233500      -1.808100      0.5179000    
 H    1.285900     -0.1238000       2.234600    
 H    2.893300      0.5291000       2.113100    
 H    4.874800      0.5389000      0.9946000    
 H    5.625600      1.6500000E-02 -0.5025000    
 H    4.652300       2.328400     -0.6009000    
 H    4.046000       1.249500      -1.859800    
 H    2.003400       2.644600      -2.117100    
 H    2.693100       3.747000     -0.9223000    
 H   0.1399000       3.883900      -1.244400    
 H   0.7219000       3.764500      0.4241000    
 H    2.294400      -2.458100       2.534700    
 H    3.901600      -1.691200       2.536700    
 H    2.723300      -1.285300       3.751100    
 H  -0.1865000      -2.767500       1.868400    
 H   -3.164300      -1.185500      0.5867000    
 H   -2.563400       3.723400     -0.1156000    
 H   -4.793800       2.800900      0.3537000    
 H  -0.9574000      -2.878000      -3.814000    
 H   -2.382400      -2.962000      -2.754200    
 H   -1.077300      -4.195900      -2.626700    


%chk=000002452-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002452

0 1
Br -5.809464 -0.061055 1.062543
O -0.359298 -2.016583 1.604670
O -0.618676 -2.492307 -2.010718
O -1.851542 -3.315327 -0.220168
N 2.705806 1.721369 -0.373721
N -0.450063 -0.256071 -0.048550
C 2.382989 -0.692759 0.355067
C 1.917337 0.480879 -0.564112
C 1.458351 -1.884772 -0.034632
C 0.475118 0.765898 -0.332898
C 3.853025 -0.986660 -0.059115
C -0.064365 -1.657867 0.223677
C 2.258605 -0.305084 1.860758
C 4.719346 0.296193 0.031707
C 4.112859 1.468989 -0.774767
C -0.130319 2.007040 -0.317055
C 2.090657 2.873696 -1.091856
C 0.699474 3.253581 -0.513188
C -1.706783 0.355167 0.160284
C -1.529655 1.781016 -0.006545
C 2.784377 -1.358482 2.859093
C -0.938349 -2.584890 -0.680609
C -2.958660 -0.213625 0.479453
C -2.649610 2.634368 0.151043
C -4.036583 0.679235 0.622568
C -3.908685 2.083666 0.466864
C -1.470322 -3.278882 -2.946341
H 2.050149 0.113420 -1.624356
H 1.725768 -2.791771 0.533964
H 1.603496 -2.100873 -1.109505
H 3.864092 -1.357612 -1.106464
H 4.289905 -1.787590 0.565226
H 1.196370 -0.110508 2.092970
H 2.782686 0.656140 2.010030
H 4.824478 0.603775 1.088272
H 5.736863 0.088500 -0.351503
H 4.699154 2.390548 -0.602055
H 4.177576 1.229567 -1.871107
H 1.978701 2.645962 -2.184235
H 2.778326 3.734722 -1.002647
H 0.210269 3.970015 -1.202592
H 0.834287 3.776204 0.454684
H 2.242320 -2.315893 2.760060
H 3.866640 -1.552788 2.738428
H 2.628466 -1.003925 3.894502
H -1.208871 -2.540167 1.615272
H -3.104670 -1.288083 0.608841
H -2.546301 3.718420 0.034337
H -4.782857 2.728051 0.593887
H -1.034316 -3.094938 -3.937080
H -2.509961 -2.917046 -2.891916
H -1.434243 -4.347664 -2.679563


