%chk=000028234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028234

0 1
 Br  -5.910600     -0.5449000     -0.5071000    
 O   0.9850000      0.1242000      -1.445700    
 N    3.438600     -9.8999999E-03 -0.1906000    
 N  -2.5300000E-02  0.4467000      0.6488000    
 C    2.343100      0.7064000      0.4617000    
 C    3.206900      -1.453000     -0.1409000    
 C    4.715000      0.3250000      0.4396000    
 C   -1.395600      0.2162000      0.3797000    
 C    1.038500      0.3904000     -0.2492000    
 C   -2.203800       1.277700      1.0000000E-03
 C   -1.906600      -1.067700      0.4990000    
 C    4.346700      -2.188600     -0.8191000    
 C    4.976900       1.814700      0.3297000    
 C   -3.554100       1.050100     -0.2647000    
 C   -3.256900      -1.295300      0.2332000    
 C   -1.668400       2.666800     -0.1317000    
 C   -1.048700      -2.222300      0.9047000    
 C   -4.080700     -0.2364000     -0.1485000    
 H    2.278700      0.4499000       1.526700    
 H    2.443800       1.793300      0.3730000    
 H    3.104600      -1.812100      0.8914000    
 H    2.294300      -1.741800     -0.6708000    
 H    4.752700      1.3400000E-02   1.490900    
 H    5.551900     -0.1525000     -7.9300001E-02
 H   0.1504000      0.8707000       1.557400    
 H    4.596500      -1.752500      -1.792600    
 H    5.248800      -2.233400     -0.2010000    
 H    4.050500      -3.228600     -0.9999000    
 H    4.807600       2.186900     -0.6868000    
 H    4.373700       2.401000       1.029600    
 H    6.024200       2.021000      0.5791000    
 H   -4.197300       1.875000     -0.5630000    
 H   -3.668200      -2.298300      0.3225000    
 H   -1.199200       2.990000      0.8035000    
 H  -0.9334000       2.716800     -0.9417000    
 H   -2.459500       3.389100     -0.3610000    
 H  -0.5377000      -2.010700       1.850000    
 H   -1.636300      -3.134500       1.055200    
 H  -0.3038000      -2.433700      0.1306000    


%chk=000028234-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028234

0 1
Br -6.058461 -0.436095 -0.692197
O 0.945163 -0.254256 -1.359677
N 3.511007 -0.088708 0.086663
N -0.063541 0.464338 0.629565
C 2.364095 0.767654 0.400860
C 3.406495 -1.442161 0.692401
C 4.816491 0.577442 0.323181
C -1.442666 0.229139 0.297604
C 1.038299 0.255133 -0.211448
C -2.352160 1.321973 0.417641
C -1.889936 -1.067131 -0.090356
C 4.269542 -2.493767 -0.029803
C 5.111777 1.717917 -0.670509
C -3.721022 1.114133 0.128897
C -3.264825 -1.242686 -0.392231
C -1.865784 2.698818 0.834168
C -0.955816 -2.256216 -0.154819
C -4.154161 -0.160508 -0.281060
H 2.225338 0.919543 1.508676
H 2.543420 1.768964 -0.034049
H 3.658525 -1.423245 1.784921
H 2.349394 -1.757268 0.614656
H 4.898116 0.960755 1.374581
H 5.600778 -0.190974 0.209456
H 0.123023 0.965604 1.502864
H 4.006335 -2.515788 -1.100888
H 5.351209 -2.285897 0.057553
H 4.089774 -3.495687 0.402164
H 5.018132 1.348981 -1.706177
H 4.426630 2.576683 -0.548815
H 6.139645 2.096183 -0.519250
H -4.429102 1.943701 0.211033
H -3.626978 -2.229247 -0.695530
H -1.523101 2.720320 1.888489
H -1.017285 3.029249 0.206907
H -2.671599 3.445168 0.740931
H -0.281567 -2.278486 0.721825
H -1.521403 -3.202438 -0.184471
H -0.311483 -2.192043 -1.050054


