%chk=000097511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097511

0 1
 Br   1.610800      -2.683800      1.3400000E-02
 N  -0.5943000      0.1611000       1.073000    
 N  -0.5848000      0.1272000      -1.149300    
 C   -1.913700      0.1135000      0.7020000    
 C   0.1599000      0.1673000     -6.7199998E-02
 C   -1.881300      9.3199998E-02 -0.6896000    
 C    1.601700      0.2123000     -2.9100001E-02
 C   -3.096600      8.7300003E-02   1.441600    
 C   -3.091300      4.4000000E-02  -1.402200    
 C    2.381000     -0.9459000      9.2000002E-03
 C    2.220200       1.464300     -3.1300001E-02
 C   -4.291500      3.8100000E-02  0.7163000    
 C   -4.291100      1.6899999E-02 -0.6804000    
 C    3.772200     -0.8524000      4.5400001E-02
 C    3.611500       1.557700      4.9000001E-03
 C    4.387500      0.3994000      4.3200001E-02
 H  -0.2461000      0.1865000       2.022500    
 H   -3.094200      0.1038000       2.525500    
 H   -3.101700      2.7000001E-02  -2.487300    
 H    1.632200       2.379000     -6.1400000E-02
 H   -5.238100      1.6100001E-02   1.250500    
 H   -5.236100     -2.1299999E-02  -1.216300    
 H    4.394600      -1.743100      7.5400002E-02
 H    4.090600       2.532400      3.0000000E-03
 H    5.470800      0.4724000      7.1400002E-02


%chk=000097511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097511

0 1
Br 1.941655 -1.904754 2.254524
N -0.667804 -0.650765 0.899245
N -0.581214 0.942491 -0.729322
C -1.998236 -0.366447 0.578215
C 0.154464 0.154239 0.094894
C -1.921990 0.639277 -0.448357
C 1.629626 0.183843 0.099286
C -3.226055 -0.864955 1.061733
C -3.109868 1.164976 -1.011402
C 2.529589 -0.574007 0.899310
C 2.228238 1.097390 -0.826523
C -4.396324 -0.327082 0.486540
C -4.339169 0.671576 -0.533256
C 3.930305 -0.440787 0.794329
C 3.618729 1.242609 -0.943634
C 4.481354 0.470759 -0.130232
H -0.330001 -1.320098 1.591604
H -3.279346 -1.630118 1.843022
H -3.059813 1.929550 -1.792375
H 1.535461 1.679738 -1.441418
H -5.374129 -0.682934 0.829333
H -5.275528 1.058806 -0.949430
H 4.582287 -1.045397 1.430786
H 4.031142 1.954510 -1.665768
H 5.568827 0.570580 -0.207904


