%chk=000042974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042974

0 1
 Br -0.8614000      -2.731600     -8.2999999E-03
 N   -2.825000      0.4015000      0.4340000    
 C  -0.5291000      0.1761000     -0.3580000    
 C    1.269500      -1.053900      0.9518000    
 C    1.838400      9.9999998E-03  -1.267800    
 C    1.383800       1.458600      0.7377000    
 C  -0.2362000     -0.9859000      0.6262000    
 C   0.3436000      4.3000001E-02  -1.631600    
 C  -0.1092000       1.489800      0.3650000    
 C    2.114800      -1.177200     -0.3326000    
 C    1.659300      0.2584000       1.660800    
 C    2.215100       1.313700     -0.5462000    
 C   -2.013700      0.2823000     -0.7355000    
 C   -4.249900      0.5153000      0.1045000    
 H    1.486600      -1.900600       1.613800    
 H    2.437500     -9.0800002E-02  -2.179700    
 H    1.656200       2.388200       1.250100    
 H  -0.7761000     -0.8553000       1.571200    
 H   0.1541000      0.8878000      -2.307000    
 H   7.9999998E-02 -0.8612000      -2.193100    
 H  -0.6928000       1.642400       1.281800    
 H  -0.3055000       2.357300     -0.2789000    
 H    1.904700      -2.118700     -0.8517000    
 H    3.180500      -1.203100     -7.1699999E-02
 H    2.720700      0.2344000       1.937100    
 H    1.091700      0.3649000       2.593500    
 H    3.284600       1.312300     -0.3022000    
 H    2.040800       2.172300      -1.206200    
 H   -2.319100     -0.5807000      -1.339100    
 H   -2.153700       1.162900      -1.376800    
 H   -2.712300     -0.4131000       1.034800    
 H   -4.827600      0.6182000       1.028100    
 H   -4.608200     -0.3740000     -0.4240000    
 H   -4.442000       1.401900     -0.5081000    


%chk=000042974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042974

0 1
Br -0.834310 -2.845609 0.011723
N -2.918749 0.090987 0.410770
C -0.514208 0.143300 -0.372611
C 1.319647 -1.023294 0.982188
C 1.874384 0.001417 -1.270359
C 1.380254 1.502136 0.713960
C -0.183841 -0.962927 0.654854
C 0.367379 -0.012816 -1.643149
C -0.124036 1.486492 0.341373
C 2.170711 -1.177527 -0.304739
C 1.677474 0.327592 1.681300
C 2.232301 1.343073 -0.575605
C -2.017672 0.174844 -0.759875
C -4.272281 0.641815 0.189921
H 1.512941 -1.863088 1.674647
H 2.479448 -0.114143 -2.190907
H 1.625683 2.461866 1.210114
H -0.794771 -0.843205 1.565077
H 0.139410 0.816924 -2.343100
H 0.113411 -0.958130 -2.161533
H -0.765387 1.619760 1.233320
H -0.350258 2.319811 -0.354635
H 1.943997 -2.143578 -0.793316
H 3.244775 -1.188974 -0.033105
H 2.749221 0.313384 1.960815
H 1.094372 0.442168 2.616732
H 3.311504 1.363858 -0.323222
H 2.039337 2.191678 -1.262253
H -2.211131 -0.633272 -1.504829
H -2.214085 1.137786 -1.271706
H -2.968099 -0.878187 0.755520
H -4.880574 0.499068 1.100968
H -4.822929 0.183144 -0.666769
H -4.203817 1.728848 0.000333


