%chk=000230109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230109

0 1
Br -0.773038 3.580930 0.001536
O 2.170811 -2.833629 -0.002242
O -2.516099 -1.390441 0.000463
O -7.498812 -1.478916 0.002469
O -7.221114 0.746672 -0.001784
N -1.986094 0.859853 0.000134
C 2.234620 0.724642 0.000415
C 1.483320 -0.492405 -0.000420
C 3.673029 0.392864 0.000661
C 3.808301 -1.030781 -0.000073
C 2.446481 -1.664908 -0.000912
C 0.109268 -0.506130 -0.000541
C 1.585682 1.945912 0.000963
C -0.567793 0.746686 0.000130
C 4.791508 1.205686 0.001520
C 5.052418 -1.628558 0.000153
C 0.181032 1.935772 0.000813
C 6.062151 0.589326 0.001730
C 6.192967 -0.795973 0.001083
C -2.883514 -0.233171 0.000247
C -4.323768 0.183263 0.000182
C -5.284942 -0.743538 0.000442
C -6.716260 -0.351774 0.000117
H -0.451090 -1.453416 -0.001149
H 2.137514 2.886405 0.001459
H 4.707120 2.289440 0.001987
H 5.153656 -2.714825 -0.000357
H 6.953292 1.218694 0.002410
H 7.182882 -1.250937 0.001301
H -2.383837 1.809741 0.000133
H -4.553102 1.254780 -0.000332
H -5.079705 -1.825605 0.000776
H -8.474582 -1.269259 0.002387


%chk=000230109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230109

0 1
Br -0.797641 3.630681 0.001576
O 2.233539 -2.886323 -0.000309
O -2.586678 -1.546990 -0.000056
O -7.653609 -1.394761 0.000143
O -7.179200 0.886869 0.000543
N -2.008382 0.741567 0.000618
C 2.253632 0.718607 0.000460
C 1.521823 -0.504524 0.000057
C 3.705831 0.409733 0.000479
C 3.860284 -1.009954 0.000081
C 2.500272 -1.654179 -0.000605
C 0.125703 -0.547702 0.000121
C 1.561309 1.941051 0.000893
C -0.599186 0.685664 0.000564
C 4.837994 1.242964 0.000946
C 5.127250 -1.612485 0.000206
C 0.150570 1.903741 0.000927
C 6.122854 0.636848 0.001033
C 6.270363 -0.772099 0.000680
C -2.921986 -0.324175 0.000395
C -4.342623 0.133150 0.000448
C -5.367443 -0.762696 0.000154
C -6.775362 -0.302480 0.000213
H -0.423035 -1.492126 -0.000218
H 2.081892 2.902398 0.001256
H 4.746182 2.334586 0.001294
H 5.219513 -2.703474 -0.000133
H 7.016475 1.270811 0.001412
H 7.273400 -1.211323 0.000756
H -2.405895 1.687544 0.000884
H -4.573438 1.207935 0.000718
H -5.169661 -1.839503 -0.000130
H -8.592447 -1.062954 0.000296


