%chk=000096575.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096575

0 1
 Br   2.229300      -3.937400      -1.356400    
 N   0.1063000      -1.403000       2.833100    
 C   2.7999999E-03 -0.5624000      0.2974000    
 C   0.4929000      -1.818300     -0.5597000    
 C   -1.396700     -0.1202000      3.0800000E-02
 C    1.031800      0.5869000      1.0800000E-02
 C    1.884900      -2.370100     -0.2443000    
 C   -1.955000      0.9163000      0.7787000    
 C    1.824700      0.9801000       1.040500    
 C   -2.147000     -0.7435000     -0.9662000    
 C    1.051900       1.102100      -1.245200    
 C   9.2299998E-02  -1.036600       1.731400    
 C   -3.263800       1.329600      0.5297000    
 C    2.739200       2.002200      0.7859000    
 C   -3.455800     -0.3302000      -1.215300    
 C    1.966500       2.124000      -1.499800    
 C   -4.014200      0.7063000     -0.4673000    
 C    2.810000       2.574100     -0.4842000    
 H   0.4544000      -1.582700      -1.632200    
 H  -0.2215000      -2.641400     -0.4050000    
 H    1.984500      -2.713500      0.7878000    
 H    2.680500      -1.658000     -0.4756000    
 H   -1.389500       1.419200       1.558900    
 H    1.815700      0.5749000       2.042900    
 H   -1.765300      -1.549000      -1.582900    
 H   0.4012000      0.7624000      -2.042700    
 H   -3.698500       2.137200       1.111500    
 H    3.396700       2.353300       1.576100    
 H   -4.040400     -0.8140000      -1.992600    
 H    2.021600       2.569600      -2.488800    
 H   -5.033000       1.028500     -0.6616000    
 H    3.522100       3.369900     -0.6825000    


%chk=000096575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096575

0 1
Br 2.353694 -3.949078 -1.383800
N 0.083286 -1.395283 2.898120
C 0.037789 -0.634354 0.329701
C 0.474051 -1.880753 -0.530696
C -1.419530 -0.186899 0.000909
C 1.026279 0.540946 0.079644
C 1.879087 -2.381134 -0.185343
C -1.971596 0.894585 0.735478
C 1.975792 0.955274 1.044244
C -2.203358 -0.802456 -1.003342
C 0.996639 1.191174 -1.181193
C 0.064245 -1.041888 1.758740
C -3.278852 1.350655 0.473179
C 2.883105 2.000906 0.752666
C -3.514490 -0.341674 -1.270550
C 1.905018 2.229739 -1.473105
C -4.057282 0.733661 -0.535188
C 2.854150 2.639321 -0.506416
H 0.442766 -1.588715 -1.595318
H -0.251846 -2.699338 -0.379185
H 1.955488 -2.776325 0.838528
H 2.661811 -1.632776 -0.373716
H -1.372172 1.379045 1.515317
H 2.007297 0.469906 2.026425
H -1.813849 -1.643754 -1.583641
H 0.249022 0.898429 -1.927753
H -3.690488 2.183910 1.052928
H 3.609600 2.313043 1.510902
H -4.109498 -0.828640 -2.051057
H 1.869245 2.723763 -2.450280
H -5.073740 1.086220 -0.741380
H 3.556938 3.448790 -0.731618


