%chk=000238707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238707

0 1
Br 2.604801 -1.453941 -2.903493
Br 5.444072 1.793889 0.826714
N -0.543486 -0.688390 1.498279
N 0.429002 0.349622 1.632825
C -1.737827 -0.291527 0.783871
C -4.055094 -0.793897 0.285924
C -2.883043 0.931835 -0.962126
C -1.721702 0.695409 -0.208498
C -2.906337 -1.035373 1.047512
C -4.044655 0.189774 -0.716743
C 1.585197 0.186106 0.800859
C -5.303019 -1.579419 0.532994
C -2.860664 1.979738 -2.027360
C 2.760376 0.873415 1.180882
C 1.539271 -0.517440 -0.421412
C 2.661624 -0.505344 -1.241796
C 3.852987 0.855900 0.318486
C 3.834871 0.174886 -0.899495
H -0.821511 1.277373 -0.396600
H -2.917341 -1.800397 1.816449
H -4.940966 0.372004 -1.302012
H -0.756602 -1.128585 2.408184
H 0.659200 0.551968 2.617509
H -5.219767 -2.258085 1.391048
H -6.160780 -0.918982 0.724334
H -5.557942 -2.195568 -0.342125
H -2.565052 2.957555 -1.620253
H -2.134305 1.726266 -2.814223
H -3.833627 2.113254 -2.516720
H 2.806544 1.418790 2.122626
H 0.631332 -1.059096 -0.706571
H 4.703145 0.171663 -1.560168


%chk=000238707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238707

0 1
Br 3.067846 -2.343124 -2.350475
Br 5.237039 2.320921 0.348003
N -0.577821 -0.660405 1.491239
N 0.499085 0.206119 1.615351
C -1.748130 -0.312851 0.767777
C -4.088148 -0.820883 0.210604
C -2.953030 1.113299 -0.824967
C -1.772872 0.801379 -0.103527
C -2.908815 -1.119488 0.924607
C -4.099823 0.302316 -0.660361
C 1.626883 0.127955 0.779267
C -5.329180 -1.684175 0.365898
C -2.969071 2.302636 -1.771074
C 2.669495 1.084870 0.941883
C 1.745666 -0.892997 -0.202931
C 2.905995 -0.931371 -0.993071
C 3.803067 0.995794 0.118544
C 3.962700 -0.003877 -0.865068
H -0.873249 1.412855 -0.233008
H -2.886232 -1.981116 1.605241
H -5.015018 0.542681 -1.215570
H -0.630849 -1.419212 2.174104
H 0.386340 1.031638 2.212025
H -5.191194 -2.463887 1.134837
H -6.207109 -1.076040 0.653058
H -5.582538 -2.191005 -0.584582
H -2.692085 3.237776 -1.249110
H -2.244982 2.165593 -2.596467
H -3.966663 2.448190 -2.219514
H 2.590105 1.872276 1.698082
H 0.937417 -1.615905 -0.329821
H 4.853875 -0.056560 -1.492073


