%chk=000245106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245106

0 1
Br -3.385304 2.944491 0.841098
O 8.109693 0.647463 0.629073
O 7.904477 -0.632004 -1.102974
N 0.984782 -0.691314 -0.149261
N 7.445125 0.021320 -0.180736
C -3.612075 1.467223 -0.446879
C -2.574505 0.392648 -0.220553
C -3.217191 -0.851313 0.068407
C -4.918873 0.745068 -0.227061
C -4.671043 -0.633004 0.065291
C -1.197773 0.494587 -0.269136
C -2.464555 -1.995853 0.290809
C -6.210259 1.237914 -0.286892
C -5.725392 -1.505240 0.287037
C -0.439817 -0.679764 -0.036052
C -1.065481 -1.908916 0.230736
C -7.275675 0.345372 -0.060341
C -7.037292 -0.999532 0.220136
C 1.728880 0.202087 0.418818
C 3.202604 0.132970 0.245943
C 4.019389 0.837646 1.149851
C 3.783741 -0.608932 -0.796107
C 5.972081 0.058608 -0.032618
C 5.405793 0.801591 1.015050
C 5.170402 -0.649162 -0.940034
H -3.539898 1.930961 -1.455088
H -0.710158 1.443022 -0.484467
H -2.945366 -2.948793 0.506367
H -6.403505 2.289459 -0.492364
H -5.549861 -2.555087 0.509115
H -0.456232 -2.799955 0.391778
H -8.298712 0.717841 -0.103190
H -7.875957 -1.673586 0.393101
H 1.375057 1.034078 1.053081
H 3.573862 1.411702 1.963506
H 3.142110 -1.162240 -1.490441
H 6.055298 1.343033 1.712099
H 5.636632 -1.224589 -1.748002


%chk=000245106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245106

0 1
Br -3.350479 2.822169 1.453662
O 8.148517 1.066496 0.357638
O 8.033365 -0.919723 -0.760981
N 0.993366 -0.811859 -0.128871
N 7.486535 0.079158 -0.149973
C -3.593878 1.495196 -0.124968
C -2.572733 0.377639 -0.066457
C -3.251296 -0.879101 0.012781
C -4.926025 0.780776 -0.053322
C -4.705336 -0.629880 0.021676
C -1.177295 0.452113 -0.109099
C -2.508933 -2.079893 0.026123
C -6.226735 1.308794 -0.077292
C -5.798659 -1.519654 0.069167
C -0.420915 -0.761273 -0.073958
C -1.102369 -2.013283 -0.033022
C -7.324223 0.412821 -0.027720
C -7.109791 -0.986415 0.045397
C 1.746576 0.152337 0.344866
C 3.211741 0.117448 0.212008
C 3.990088 1.177888 0.756287
C 3.866963 -0.959306 -0.454063
C 6.010142 0.092798 -0.023508
C 5.391694 1.174071 0.642598
C 5.264597 -0.978040 -0.574038
H -3.481002 2.177505 -0.981783
H -0.673446 1.422669 -0.180067
H -3.009989 -3.052678 0.066498
H -6.392070 2.390930 -0.113699
H -5.643815 -2.602868 0.120743
H -0.492544 -2.921940 -0.038109
H -8.347092 0.803969 -0.042593
H -7.970924 -1.662530 0.084644
H 1.329486 1.024923 0.889781
H 3.489635 2.007071 1.270109
H 3.250257 -1.763716 -0.865327
H 6.009608 1.977043 1.052321
H 5.791983 -1.791855 -1.078350


