%chk=000044030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044030

0 1
 Br  -5.654400     -0.5366000      0.3774000    
 N    1.895200      -2.501700      0.2380000    
 C    2.680100      0.2785000     -9.2600003E-02
 C   0.8737000       2.137100      0.1507000    
 C    1.304300     -0.2617000     -0.5849000    
 C   0.2813000      0.9252000     -0.6348000    
 C    2.578300      0.7281000       1.374300    
 C    3.064800       1.513400     -0.9324000    
 C    1.405100       1.701600       1.533200    
 C    2.081500       2.662000     -0.6597000    
 C   0.8646000      -1.477400      0.2421000    
 C   -1.175300      0.5658000     -0.3874000    
 C   -1.929900     -1.4600000E-02  -1.404300    
 C   -1.749200      0.8189000      0.8563000    
 C    2.173100      -2.954900      -1.127900    
 C    1.502300      -3.638700       1.075400    
 C   -3.266200     -0.3435000      -1.176000    
 C   -3.085400      0.4898000       1.084400    
 C   -3.843900     -9.1300003E-02  6.8300001E-02
 H    3.471900     -0.4702000     -0.1989000    
 H   0.1342000       2.938200      0.2620000    
 H    1.411000     -0.5723000      -1.632800    
 H   0.2737000       1.269400      -1.683000    
 H    3.510400       1.223400       1.675100    
 H    2.463300     -0.1231000       2.053700    
 H    3.059300       1.259200      -1.999200    
 H    4.084400       1.838600     -0.6933000    
 H   0.6515000       1.231300       2.164100    
 H    1.745700       2.583800       2.090000    
 H    2.586000       3.463100     -0.1056000    
 H    1.750900       3.101100      -1.608500    
 H  -6.5399997E-02  -1.890800     -0.1685000    
 H   0.6366000      -1.175600       1.270600    
 H   -1.490100     -0.2190000      -2.376600    
 H   -1.226700       1.299300       1.668600    
 H    2.708800      -2.205500      -1.717800    
 H    1.263400      -3.251500      -1.662900    
 H    2.842500      -3.823900      -1.108900    
 H    2.306000      -4.382200       1.117800    
 H   0.5947000      -4.129900      0.7060000    
 H    1.324200      -3.312900       2.106300    
 H   -3.843000     -0.7966000      -1.978100    
 H   -3.523500      0.6998000       2.056800    


%chk=000044030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044030

0 1
Br -5.756165 -0.628822 0.298961
N 1.876187 -2.524067 0.186533
C 2.708735 0.315479 -0.216563
C 0.899559 2.131561 0.259302
C 1.317729 -0.211168 -0.686436
C 0.295166 1.011864 -0.646064
C 2.675170 0.637473 1.300294
C 3.050804 1.616433 -0.989831
C 1.454980 1.568915 1.599526
C 2.088961 2.760246 -0.519178
C 0.851658 -1.450027 0.119350
C -1.159655 0.626990 -0.366579
C -1.887069 -0.077241 -1.365096
C -1.845917 0.958770 0.829088
C 2.157241 -3.138964 -1.126603
C 1.525422 -3.544948 1.196028
C -3.235475 -0.451913 -1.185139
C -3.197748 0.593096 1.034541
C -3.876150 -0.114163 0.025066
H 3.467287 -0.465519 -0.406138
H 0.133667 2.906615 0.457918
H 1.414531 -0.516359 -1.749018
H 0.291120 1.431327 -1.674414
H 3.624920 1.131703 1.582672
H 2.620204 -0.299447 1.882300
H 2.950608 1.442267 -2.079726
H 4.105608 1.896771 -0.808323
H 0.671539 1.012934 2.147388
H 1.755710 2.412509 2.249950
H 2.621270 3.469777 0.143404
H 1.717828 3.344136 -1.383160
H -0.102597 -1.837181 -0.319304
H 0.614913 -1.151962 1.157949
H -1.392263 -0.331395 -2.310799
H -1.338939 1.522818 1.617063
H 2.548624 -2.385244 -1.831166
H 1.253287 -3.611167 -1.591771
H 2.929150 -3.920567 -1.009140
H 2.341053 -4.286377 1.275381
H 0.579407 -4.097138 0.961046
H 1.401628 -3.065228 2.183486
H -3.774501 -0.990009 -1.970408
H -3.707687 0.860920 1.964610


