%chk=000145928.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145928

0 1
 Br  -4.911300     -0.4126000     -3.9999999E-04
 N   0.3227000      -1.594800      1.9999999E-04
 N    3.786000     -0.3255000     -5.0000002E-04
 C  -0.3140000      0.5432000      1.9999999E-04
 C    1.115900      0.4901000      3.0000001E-04
 C  -0.7797000     -0.7723000      3.0000001E-04
 C    1.480600     -0.8558000       0.000000    
 C   -1.257000       1.592400     -3.9999999E-04
 C   -2.142100      -1.092900      3.9999999E-04
 C    2.132600       1.457800      5.0000002E-04
 C    2.808900      -1.261500     -5.0000002E-04
 C   -2.622700       1.287400     -3.9999999E-04
 C   -3.056500     -3.6100000E-02  1.9999999E-04
 C    3.436500      0.9806000      1.9999999E-04
 H   0.2851000      -2.604800      1.9999999E-04
 H  -0.9342000       2.629700     -7.9999998E-04
 H   -2.466200      -2.129100      5.0000002E-04
 H    1.920900       2.520800      7.9999998E-04
 H    3.116300      -2.298900     -8.9999998E-04
 H   -3.338600       2.106300     -8.9999998E-04
 H    4.271700       1.674700      3.0000001E-04


%chk=000145928-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145928

0 1
Br -4.997678 -0.424420 -0.000147
N 0.315567 -1.647371 0.000021
N 3.842848 -0.332038 0.000029
C -0.330853 0.569015 0.000003
C 1.125422 0.513913 -0.000015
C -0.797686 -0.792842 0.000000
C 1.491028 -0.877220 0.000033
C -1.276001 1.621592 -0.000093
C -2.171288 -1.117939 -0.000048
C 2.165451 1.472110 0.000007
C 2.849529 -1.263904 0.000014
C -2.652711 1.317596 -0.000159
C -3.075264 -0.038994 -0.000140
C 3.496123 0.997075 0.000028
H 0.278906 -2.664094 0.000070
H -0.953471 2.667706 -0.000114
H -2.522251 -2.154044 -0.000017
H 1.960538 2.547268 0.000008
H 3.164329 -2.313900 -0.000014
H -3.395090 2.120627 -0.000229
H 4.337452 1.698563 0.000063


