%chk=000004559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004559

0 1
 Br  -3.714200       1.680800     -0.3035000    
 O   -3.435000      -1.297600      -1.294600    
 C   0.3546000      1.8600000E-02  0.2649000    
 C  -0.8981000       1.043100      0.4133000    
 C   -2.087100      0.5624000     -0.5019000    
 C    1.517300      0.4118000       1.253100    
 C  -0.1876000      -1.414700      0.5183000    
 C   -2.506800     -0.8971000     -0.2836000    
 C   -1.319400      -1.848200     -0.3829000    
 C   -1.337300       1.116100       1.903400    
 C  -0.4979000       2.483500     -1.7500000E-02
 C   0.9294000      7.3600002E-02  -1.160800    
 C    2.873500     -0.2241000      0.9137000    
 C    2.231200      0.1304000      -1.479400    
 C    3.289500      9.6400000E-02 -0.4950000    
 C   0.2197000      -2.264800       1.477700    
 C    4.568300      0.3297000     -0.8252000    
 H   -1.845800      0.7184000      -1.559900    
 H    1.260600      0.1618000       2.289000    
 H    1.673500       1.495800       1.250400    
 H   -3.006500      -1.016000      0.6857000    
 H  -0.9699000      -1.917800      -1.420900    
 H   -1.661500      -2.864300     -0.1440000    
 H   -2.166000       1.813700       2.057200    
 H   -1.652700      0.1429000       2.290700    
 H  -0.5285000       1.482900       2.543400    
 H  -0.2332000       2.530100      -1.078900    
 H   -1.313100       3.196700      0.1421000    
 H   0.3466000       2.873600      0.5556000    
 H   0.2289000      7.8100003E-02  -1.992400    
 H    2.833300      -1.312500       1.028800    
 H    3.620000      0.1390000       1.631400    
 H    2.511000      0.2039000      -2.527000    
 H   0.9981000      -2.029100       2.191000    
 H  -0.2356000      -3.244500       1.587800    
 H   -3.706700      -2.210700      -1.099300    
 H    5.355000      0.2964000     -7.8199998E-02
 H    4.863800      0.5582000      -1.844400    


%chk=000004559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004559

0 1
Br -3.783083 1.598622 -0.382134
O -3.390688 -1.471183 -1.311157
C 0.370758 -0.008143 0.283549
C -0.914026 0.997706 0.434412
C -2.036076 0.449628 -0.498482
C 1.505592 0.432825 1.256935
C -0.129600 -1.449419 0.563357
C -2.469175 -1.006921 -0.271161
C -1.234858 -1.932878 -0.360477
C -1.369707 1.034575 1.916773
C -0.540223 2.430522 -0.028612
C 0.905040 0.056573 -1.155541
C 2.884607 -0.190969 0.920644
C 2.226202 0.145828 -1.489422
C 3.315198 0.126749 -0.503452
C 0.307918 -2.245016 1.574192
C 4.615647 0.336186 -0.863447
H -1.793727 0.600566 -1.563657
H 1.231415 0.185932 2.297631
H 1.614383 1.530771 1.207071
H -2.937979 -1.098345 0.730113
H -0.907002 -1.953367 -1.417193
H -1.553043 -2.956530 -0.099916
H -2.315974 1.594738 2.010245
H -1.517534 0.023347 2.334348
H -0.616404 1.550139 2.536745
H -0.170603 2.439653 -1.069690
H -1.423709 3.089315 0.030262
H 0.242074 2.871185 0.612039
H 0.171682 0.035409 -1.971350
H 2.829375 -1.291788 1.027240
H 3.642184 0.166720 1.642466
H 2.506167 0.228040 -2.548718
H 1.081045 -1.945079 2.287678
H -0.111378 -3.248711 1.713130
H -4.188067 -0.877490 -1.302390
H 5.427416 0.323166 -0.127241
H 4.897552 0.524144 -1.906690


