%chk=000170668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170668

0 1
 Br  0.9761000      -2.805800      9.9999997E-05
 N   -1.289100      -1.218700     -9.9999997E-05
 N   0.6567000       2.512800      9.9999997E-05
 N   -3.385500     -8.7099999E-02 -9.9999997E-05
 N    3.346900      0.1492000     -1.9999999E-04
 C   2.3100000E-02   1.249300      9.9999997E-05
 C   -1.366500       1.197500      9.9999997E-05
 C   0.7572000      6.8499997E-02   0.000000    
 C   -1.968900     -5.0099999E-02 -9.9999997E-05
 C   5.9700001E-02  -1.128700      9.9999997E-05
 C    2.190200      0.1132000     -9.9999997E-05
 H   -1.958700       2.108000      8.9999998E-04
 H    1.664300       2.589400     -6.9999998E-04
 H   9.5200002E-02   3.354300     -5.0000002E-04
 H   -3.820800      -1.001300     -6.3999998E-03
 H   -3.887800      0.6858000     -0.4192000    


%chk=000170668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170668

0 1
Br 0.963739 -2.855926 0.021176
N -1.319791 -1.200326 -0.036791
N 0.707765 2.505035 -0.008371
N -3.397608 -0.156629 -0.088373
N 3.388211 0.242223 0.057582
C 0.028536 1.305388 -0.017742
C -1.386293 1.249720 -0.047712
C 0.773162 0.061305 0.002865
C -2.027138 -0.014751 -0.056143
C 0.007464 -1.135190 -0.009104
C 2.196675 0.108837 0.032935
H -1.976318 2.171339 -0.063355
H 1.726567 2.522195 0.013707
H 0.206665 3.388922 -0.024418
H -3.778425 -1.100529 -0.093228
H -4.021111 0.644687 -0.109027


