%chk=000147050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147050

0 1
 Br   2.553700      -2.036300      -1.675500    
 N   -1.208400      5.3199999E-02 -9.9299997E-02
 C   -2.325700     -0.8281000      0.2531000    
 C  -2.9800000E-02 -0.8176000     -0.2212000    
 C   -1.699900      -1.667200       1.350000    
 C  -0.2914000      -1.931600      0.8162000    
 C   -3.538400     -6.2000002E-03  0.6680000    
 C   -1.517800      0.8632000      -1.273600    
 C   -3.936000      0.9336000     -0.4736000    
 C   -2.736300       1.746000     -0.9717000    
 C    1.273400     -8.8500001E-02  2.0700000E-02
 C    2.475700     -0.5109000     -0.5512000    
 C    1.256400       1.039700      0.8437000    
 C    3.654800      0.1912000     -0.3010000    
 C    2.435300       1.741800       1.093800    
 C    3.634500       1.317500      0.5215000    
 H   -2.591700      -1.477600     -0.5940000    
 H  -5.0700001E-02  -1.260500      -1.224000    
 H   -2.248400      -2.596200       1.533300    
 H   -1.641900      -1.113600       2.295600    
 H   0.4316000      -1.949200       1.639300    
 H  -0.2601000      -2.910400      0.3226000    
 H   -3.315100      0.5859000       1.564800    
 H   -4.377200     -0.6650000      0.9192000    
 H   -1.723000      0.2333000      -2.148600    
 H  -0.6729000       1.512500      -1.529500    
 H   -4.733700       1.607900     -0.1433000    
 H   -4.339200      0.3420000      -1.304900    
 H   -3.018700       2.304800      -1.871100    
 H   -2.465500       2.487300     -0.2085000    
 H   0.3492000       1.391900       1.326500    
 H    4.598900     -0.1243000     -0.7378000    
 H    2.421100       2.616100       1.738200    
 H    4.552700       1.863600      0.7176000    


%chk=000147050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147050

0 1
Br 2.594432 -2.161815 -1.644569
N -1.236209 0.038188 -0.056719
C -2.378470 -0.863646 0.255968
C -0.043887 -0.838158 -0.179156
C -1.779681 -1.788864 1.335374
C -0.281432 -1.940470 0.919674
C -3.616695 -0.037013 0.636723
C -1.503887 0.936173 -1.198962
C -3.965271 0.947446 -0.509171
C -2.738757 1.812715 -0.891578
C 1.268703 -0.082375 -0.001293
C 2.500768 -0.514940 -0.547300
C 1.300071 1.100691 0.786048
C 3.711797 0.178343 -0.340659
C 2.496007 1.812658 1.009742
C 3.707642 1.352936 0.444562
H -2.635573 -1.479634 -0.649995
H -0.026127 -1.338631 -1.178543
H -2.304013 -2.759009 1.386712
H -1.860426 -1.301280 2.323654
H 0.390596 -1.783592 1.780097
H -0.061800 -2.938791 0.504584
H -3.395659 0.527024 1.564402
H -4.471883 -0.708660 0.845119
H -1.683163 0.348428 -2.138238
H -0.615910 1.571183 -1.373675
H -4.813439 1.595027 -0.216379
H -4.294889 0.368697 -1.397130
H -2.971867 2.442433 -1.771634
H -2.489495 2.490271 -0.051862
H 0.344542 1.435876 1.205511
H 4.640689 -0.192268 -0.783683
H 2.484643 2.722179 1.620342
H 4.644144 1.897178 0.607332


