%chk=000171557.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171557

0 1
 Br   4.754700      -1.636700       1.742600    
 O   -2.030500      -1.859800     -0.8721000    
 O   -4.007600     -0.4407000      0.4709000    
 O    4.027600      0.3337000     -0.9787000    
 N    2.299500      0.4995000      0.5664000    
 C   0.9073000       2.037100     -0.7735000    
 C  -0.3902000       1.379000     -0.4457000    
 C    1.969400       1.877900      0.3213000    
 C  -0.6121000      5.2099999E-02 -0.8141000    
 C   -1.382400       2.090900      0.2285000    
 C   -1.826000     -0.5630000     -0.5082000    
 C   -2.818100      0.1489000      0.1661000    
 C   -2.596400       1.475900      0.5343000    
 C    3.312400     -0.1653000     -0.1116000    
 C    3.455300      -1.604300      0.3044000    
 C  -0.9661000      -2.516000      -1.558000    
 C   -4.096600      -1.109200       1.727600    
 H   0.7408000       3.107000     -0.9539000    
 H    1.291300       1.638800      -1.722100    
 H    2.877100       2.419300      3.2699998E-02
 H    1.612800       2.297400       1.268400    
 H   0.1929000     -0.4513000      -1.338900    
 H   -1.221200       3.124700      0.5226000    
 H   -3.364900       2.036500       1.059600    
 H    1.760900      5.0000002E-04   1.268500    
 H    3.840800      -2.208000     -0.5199000    
 H    2.520800      -2.028100      0.6783000    
 H  -7.1300000E-02  -2.598000     -0.9312000    
 H  -0.7573000      -2.044900      -2.524600    
 H   -1.300100      -3.537300      -1.768600    
 H   -3.938200     -0.4035000       2.549200    
 H   -3.366000      -1.922400       1.784400    
 H   -5.100100      -1.533700       1.819600    


%chk=000171557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171557

0 1
Br 2.268980 -2.568205 1.057521
O -2.287617 -1.802289 -0.576453
O -4.029113 -0.148835 0.963359
O 4.639073 0.646607 -0.331316
N 2.400277 0.552644 0.347164
C 0.931709 2.053278 -1.034635
C -0.380616 1.460665 -0.539026
C 2.076937 1.949414 0.012675
C -0.700607 0.102328 -0.799007
C -1.287291 2.235635 0.223054
C -1.894279 -0.480025 -0.309647
C -2.788632 0.304480 0.484950
C -2.471064 1.657440 0.729818
C 3.638444 0.012601 0.135866
C 3.889730 -1.454740 0.494086
C -1.417053 -2.612951 -1.434313
C -4.063856 -1.424101 1.709340
H 0.797804 3.126145 -1.270261
H 1.262447 1.552617 -1.963486
H 3.002306 2.407402 -0.377166
H 1.783533 2.486873 0.934941
H -0.017589 -0.491823 -1.415310
H -1.070982 3.291548 0.423033
H -3.183498 2.241525 1.320803
H 1.652826 -0.045489 0.713258
H 4.586795 -1.517003 1.343541
H 4.312103 -1.974825 -0.377655
H -0.418131 -2.753288 -0.977636
H -1.310697 -2.157835 -2.437734
H -1.926401 -3.584000 -1.520656
H -3.395876 -1.372909 2.591337
H -3.772201 -2.268626 1.064942
H -5.108960 -1.527259 2.038915


