%chk=000022353.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022353

0 1
 Br   5.056800      0.5773000      0.7789000    
 N  -0.7460000      0.1329000     -0.9955000    
 N   -1.494100      5.2800000E-02  4.4999998E-03
 N   -3.789800      -2.340600      0.5358000    
 N   -4.115500       2.052600      0.6444000    
 C    2.676500     -0.8459000     -8.6000003E-03
 C    1.345000     -0.9360000     -0.4143000    
 C   0.5887000      0.2232000     -0.5879000    
 C    3.251700      0.4035000      0.2236000    
 C    1.163800       1.472500     -0.3557000    
 C    2.495300       1.562700      5.0000001E-02
 C    3.447400      -2.114400      0.1665000    
 C   -2.903700     -4.2399999E-02 -0.3737000    
 C   -3.397200      -1.324300      0.1356000    
 C   -3.579000       1.126200      0.1963000    
 H   0.8880000      -1.905800     -0.5984000    
 H   0.5828000       2.381400     -0.4889000    
 H    2.926100       2.545000      0.2263000    
 H    4.308800      -2.140100     -0.5090000    
 H    3.787600      -2.220600       1.201800    
 H    2.837900      -2.996200     -6.0800001E-02
 H   -3.032800     -2.4900001E-02  -1.464500    


%chk=000022353-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022353

0 1
Br 5.365723 0.280335 -0.127392
N -0.790627 0.667671 -0.506789
N -1.516944 -0.324043 -0.089579
N -4.055838 -1.781679 -1.956749
N -4.179682 0.057271 2.106064
C 2.650875 -0.780261 0.245871
C 1.246472 -0.678094 0.153310
C 0.625560 0.485087 -0.378909
C 3.410083 0.335713 -0.218561
C 1.410078 1.574387 -0.831540
C 2.813380 1.498995 -0.750331
C 3.298481 -2.024132 0.814759
C -3.003492 0.019421 -0.290455
C -3.600844 -0.983326 -1.198486
C -3.668844 0.025232 1.030245
H 0.614602 -1.504136 0.495050
H 0.909843 2.458529 -1.237576
H 3.435583 2.329356 -1.093931
H 3.973818 -2.496724 0.078118
H 3.913975 -1.785028 1.701373
H 2.536942 -2.763551 1.110951
H -3.090845 1.027879 -0.749042


