%chk=000035104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035104

0 1
 Br  -1.645400       3.933700     -0.1096000    
 N    2.149400      0.5007000      0.1045000    
 N   -2.239200      -1.151500      3.7400000E-02
 N  -3.3599999E-02 -0.3552000      7.1500003E-02
 N   0.3587000       2.011100      6.3999998E-03
 N   -1.886800       1.165900     -2.7700000E-02
 C    2.742400     -0.8178000      0.1653000    
 C    4.157000     -0.7069000      0.7184000    
 C    2.737100      -1.442500      -1.224000    
 C   0.7846000      0.7254000      5.9300002E-02
 C   -1.804100      -2.511900      9.3199998E-02
 C   -1.342900     -6.0699999E-02  2.6400000E-02
 C   -3.001200      -3.442800      0.1131000    
 C  -0.9760000       2.152500     -3.4299999E-02
 H    2.175300      -1.458700      0.8522000    
 H    2.750500       1.314800      4.5200001E-02
 H    4.624600      -1.694100      0.7961000    
 H    4.789600     -8.1299998E-02  7.8500003E-02
 H    4.150400     -0.2563000       1.717100    
 H    1.720100      -1.570600      -1.608500    
 H    3.209900      -2.430300      -1.205900    
 H    3.283400     -0.8200000      -1.941800    
 H   -1.181400      -2.749900     -0.7769000    
 H   -1.204600      -2.685600      0.9944000    
 H   -3.226600     -0.9255000      1.5000000E-03
 H   -3.637200      -3.248000      0.9833000    
 H   -3.615000      -3.314400     -0.7850000    
 H   -2.673400      -4.486000      0.1563000    


%chk=000035104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035104

0 1
Br -1.665859 3.971805 -0.110155
N 2.146176 0.499636 0.078245
N -2.267318 -1.149845 0.073377
N -0.029433 -0.416116 0.062205
N 0.360540 2.002820 -0.009415
N -1.908524 1.157817 -0.006832
C 2.818937 -0.818810 0.102363
C 4.200415 -0.661554 0.768180
C 2.919679 -1.418398 -1.320650
C 0.794777 0.679540 0.040963
C -1.893030 -2.572621 0.131306
C -1.367623 -0.125284 0.043591
C -3.153455 -3.453011 0.149363
C -0.977424 2.126741 -0.031396
H 2.182253 -1.484135 0.713723
H 2.704953 1.354984 0.035523
H 4.708014 -1.639979 0.824699
H 4.849779 0.017254 0.181616
H 4.108119 -0.259618 1.792854
H 1.915145 -1.507762 -1.768144
H 3.375161 -2.425120 -1.282271
H 3.543367 -0.780475 -1.973872
H -1.255569 -2.819079 -0.739262
H -1.276725 -2.752478 1.032867
H -3.251900 -0.877670 0.054745
H -3.782678 -3.234788 1.031838
H -3.761782 -3.301143 -0.761188
H -2.870396 -4.518612 0.192126


