%chk=000289114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289114

0 1
Br 5.726400 -1.058492 -0.108216
S -1.840724 -2.355479 0.424808
N 0.251326 1.503635 0.126163
C 0.263911 -0.766898 -0.171778
C -0.557003 0.355958 -0.041502
C 1.629791 -0.321905 -0.085500
C 1.594660 1.103962 0.106521
C -2.013515 0.369788 -0.047262
C -0.218589 -2.141130 -0.379592
C -2.694353 -0.846488 0.145755
C 2.874127 -0.977941 -0.151108
C 2.773926 1.868648 0.234100
C -2.763627 1.542186 -0.240944
C -4.089570 -0.897592 0.174941
C 4.014219 -0.207051 -0.024412
C 3.981154 1.198679 0.166677
C -4.159225 1.494800 -0.212629
C -4.821609 0.280466 0.001089
H -0.299452 -2.381031 -1.461483
H 0.459095 -2.897550 0.071037
H -0.084664 2.433711 0.284298
H 2.915322 -2.056776 -0.296641
H 2.728880 2.943705 0.380229
H -2.264138 2.491159 -0.421951
H -4.609300 -1.845117 0.327415
H 4.918684 1.749888 0.260880
H -4.735000 2.407636 -0.359941
H -5.910328 0.250729 0.025142


%chk=000289114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289114

0 1
Br 5.828988 -1.042933 -0.076648
S -1.866265 -2.471315 0.495502
N 0.249963 1.477454 0.109560
C 0.285926 -0.787860 -0.172241
C -0.550179 0.331342 -0.050208
C 1.650242 -0.322898 -0.083004
C 1.597997 1.107770 0.099559
C -2.010431 0.339160 -0.062265
C -0.224771 -2.173934 -0.427140
C -2.723561 -0.881656 0.160756
C 2.913057 -0.972476 -0.142013
C 2.763896 1.888733 0.237818
C -2.761287 1.529626 -0.269790
C -4.135531 -0.883971 0.204323
C 4.060475 -0.177488 -0.004903
C 4.010564 1.231539 0.184305
C -4.169428 1.526293 -0.220870
C -4.859200 0.316355 0.025688
H -0.408250 -2.371640 -1.498243
H 0.454414 -2.948970 -0.034956
H -0.102795 2.409864 0.312648
H 2.992408 -2.053535 -0.285988
H 2.721067 2.973495 0.380644
H -2.237596 2.466928 -0.495078
H -4.668439 -1.825801 0.372654
H 4.938000 1.801266 0.286509
H -4.725309 2.455506 -0.383303
H -5.953555 0.300645 0.062780


