%chk=000022351.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022351

0 1
 Br   5.246700      0.3547000      0.8529000    
 N  -0.5508000      8.4500000E-02 -0.9585000    
 N   -1.310100      0.1382000      3.3900000E-02
 N   -3.750300      -2.058800      0.7407000    
 N   -3.812800       2.338100      0.4551000    
 C    1.483800      -1.039700     -0.2490000    
 C   0.7848000      0.1319000     -0.5399000    
 C    2.814000     -0.9735000      0.1658000    
 C    1.415900       1.369600     -0.4162000    
 C   0.8288000      -2.376400     -0.3745000    
 C    3.445100      0.2643000      0.2896000    
 C    2.746000       1.435800     -1.5000000E-03
 C   -2.719000      9.2900001E-02 -0.3554000    
 C   -3.293600      -1.107100      0.2580000    
 C   -3.328500       1.345400      9.8700002E-02
 H    3.358800      -1.886700      0.3942000    
 H   0.8805000       2.288500     -0.6413000    
 H    1.548500      -3.194400     -0.2604000    
 H   6.2199999E-02  -2.498600      0.3976000    
 H   0.3685000      -2.491100      -1.361500    
 H    3.223100       2.408200      8.9800000E-02
 H   -2.836600      2.0300001E-02  -1.445200    


%chk=000022351-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022351

0 1
Br 5.421803 0.584344 0.502753
N -0.631816 -0.412894 -0.250300
N -1.453764 0.536860 0.080224
N -4.199549 0.040577 2.146801
N -3.986061 1.710401 -1.987148
C 1.664153 -1.164425 -0.423410
C 0.755958 -0.121615 -0.054609
C 3.049696 -0.929396 -0.247540
C 1.230863 1.113824 0.471622
C 1.180098 -2.484701 -0.987748
C 3.501798 0.299330 0.274641
C 2.605999 1.332841 0.639650
C -2.896025 0.071670 -0.183106
C -3.633149 0.068722 1.099041
C -3.515681 0.984501 -1.167895
H 3.768265 -1.707650 -0.519586
H 0.504980 1.886653 0.742265
H 2.028255 -3.160888 -1.184596
H 0.484755 -2.985419 -0.292057
H 0.625630 -2.334929 -1.930795
H 2.980256 2.277414 1.042954
H -2.881464 -0.959118 -0.598262


