%chk=000286047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286047

0 1
Br 9.549609 -2.254234 -1.281635
N -2.827710 0.091157 0.198992
N 3.600173 0.889705 0.280058
N 4.893314 1.307665 0.430717
C -5.667760 -0.760020 0.088346
C -6.162552 -0.410148 -1.336279
C -6.815745 -1.447887 0.873825
C -4.477303 -1.752280 0.007300
C -5.187903 0.497039 0.852170
C -7.453711 0.417918 -1.328301
C -8.107439 -0.621144 0.881834
C -3.210673 -1.119120 -0.584939
C -3.915234 1.111375 0.253283
C -8.567170 -0.287017 -0.543117
C -1.483358 0.499747 0.238574
C -1.129674 1.786465 0.724333
C -0.439932 -0.395759 -0.112456
C 0.204093 2.147104 0.857888
C 0.889509 -0.020346 0.026003
C 1.236441 1.255604 0.509232
C 2.632052 1.685014 0.662688
C 5.940807 0.446499 0.020922
C 7.265640 0.907047 0.200259
C 5.700286 -0.823865 -0.548715
C 8.333730 0.099159 -0.189221
C 6.774526 -1.620043 -0.932838
C 8.081842 -1.153898 -0.750895
H -6.332979 -1.346710 -1.901041
H -5.375199 0.136386 -1.887211
H -6.496944 -1.649561 1.912964
H -7.021188 -2.437943 0.423046
H -4.753665 -2.639562 -0.590619
H -4.249452 -2.127711 1.025589
H -5.000237 0.229130 1.911056
H -5.988781 1.260252 0.865503
H -7.259137 1.415586 -0.889644
H -7.784252 0.601787 -2.367917
H -8.902063 -1.178764 1.412838
H -7.956208 0.312302 1.456968
H -2.378637 -1.861775 -0.550651
H -3.367718 -0.859799 -1.655924
H -4.121460 1.518437 -0.762386
H -3.588106 1.969194 0.886521
H -8.865892 -1.214852 -1.067671
H -9.470223 0.350063 -0.510589
H -1.907114 2.493013 1.009348
H -0.677505 -1.392514 -0.480418
H 0.449479 3.139552 1.237099
H 1.680203 -0.724478 -0.245895
H 2.768051 2.683323 1.104660
H 5.130148 2.214339 0.839235
H 7.463793 1.881749 0.637310
H 4.675612 -1.173783 -0.684587
H 9.357222 0.452849 -0.051718
H 6.591795 -2.602248 -1.373295


%chk=000286047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286047

0 1
Br 9.877814 -2.009430 -1.397024
N -2.893484 -0.103858 0.594362
N 3.623568 0.783129 0.152213
N 4.896227 1.312178 0.185301
C -5.790746 -0.786466 0.177062
C -5.965956 -0.336603 -1.305927
C -7.138229 -1.384619 0.679781
C -4.685369 -1.866788 0.301347
C -5.331440 0.371135 1.104477
C -7.170877 0.610899 -1.524389
C -8.347941 -0.441019 0.478270
C -3.276317 -1.371267 -0.075781
C -3.938940 0.934346 0.759740
C -8.484411 -0.017042 -1.002992
C -1.546473 0.308015 0.541886
C -1.150594 1.639830 0.893859
C -0.497560 -0.589097 0.141213
C 0.199563 2.026167 0.881884
C 0.845299 -0.191325 0.131283
C 1.235093 1.126882 0.506842
C 2.623938 1.574493 0.503988
C 6.010612 0.540927 -0.176449
C 7.304974 1.129909 -0.131435
C 5.873587 -0.814205 -0.586481
C 8.444369 0.381149 -0.489365
C 7.013353 -1.561569 -0.944007
C 8.289118 -0.960957 -0.893781
H -6.116385 -1.247208 -1.924294
H -5.042730 0.144036 -1.682252
H -7.042856 -1.658717 1.750555
H -7.330198 -2.329211 0.126884
H -4.923179 -2.737011 -0.342615
H -4.670332 -2.231255 1.348746
H -5.315750 -0.013374 2.144430
H -6.044070 1.216553 1.087551
H -6.993335 1.575471 -1.006439
H -7.262683 0.848664 -2.602064
H -9.273238 -0.945511 0.818079
H -8.233851 0.462423 1.110733
H -2.560170 -2.156655 0.221505
H -3.192095 -1.261027 -1.181062
H -3.997926 1.568128 -0.155320
H -3.641172 1.600252 1.588783
H -8.726396 -0.911365 -1.614678
H -9.325661 0.692342 -1.125221
H -1.894687 2.389081 1.172968
H -0.729793 -1.609674 -0.172254
H 0.456541 3.056138 1.162746
H 1.622167 -0.899086 -0.176480
H 2.803360 2.625721 0.814333
H 5.046519 2.288638 0.476928
H 7.426490 2.174014 0.182989
H 4.876852 -1.259517 -0.618422
H 9.436165 0.840952 -0.452205
H 6.904637 -2.603622 -1.259201


