%chk=000213380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213380

0 1
Br -6.111372 2.829481 0.257542
O -0.603375 0.360252 0.294431
O 2.374572 0.805848 0.327039
O 2.068470 -2.467660 -0.007870
O 2.670519 1.970081 -1.629284
N 3.739384 2.600024 0.342892
C 1.606049 -0.223912 -0.383367
C 0.271073 0.342687 -0.873514
C 1.484129 -1.329950 0.670196
C -1.836428 0.954784 0.167951
C -2.352082 1.522547 -1.003936
C -2.572067 0.934579 1.373702
C 2.167666 -3.646847 0.840484
C 2.906872 1.827304 -0.446877
C -3.633883 2.082929 -0.968130
C -3.843783 1.494503 1.391795
C -4.364348 2.064021 0.220052
C 2.724356 -4.674223 -0.007425
C 3.189273 -5.528182 -0.718690
H 2.220689 -0.567167 -1.257425
H -0.186411 -0.316291 -1.634961
H 0.386703 1.371221 -1.268303
H 2.063250 -1.081796 1.580095
H 0.434872 -1.554508 0.937475
H -1.785310 1.539456 -1.929932
H -2.133229 0.486794 2.262589
H 2.832463 -3.413662 1.699218
H 1.153706 -3.916291 1.204885
H -4.050897 2.530409 -1.873076
H -4.429360 1.489406 2.313644
H 4.077448 3.481267 -0.015471
H 3.789989 2.453131 1.339014
H 3.588162 -6.263836 -1.325440


%chk=000213380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213380

0 1
Br -6.241546 1.599822 -0.179379
O -0.193679 0.522008 0.449554
O 2.636743 1.274752 0.571709
O 1.835265 -2.225790 -0.144703
O 3.160082 2.398838 -1.439698
N 3.568154 3.345535 0.672244
C 2.106865 0.142727 -0.227845
C 0.686311 0.413343 -0.725007
C 2.204046 -1.076298 0.695131
C -1.552364 0.767752 0.220560
C -2.141031 0.887668 -1.063229
C -2.353337 0.896347 1.383384
C 1.701691 -3.457030 0.656421
C 3.131563 2.362450 -0.184276
C -3.529066 1.134138 -1.177524
C -3.735456 1.141220 1.269674
C -4.311783 1.257871 -0.014842
C 1.328656 -4.574480 -0.217844
C 1.013233 -5.538436 -0.916891
H 2.747474 0.001077 -1.118271
H 0.373593 -0.441931 -1.355668
H 0.661396 1.348994 -1.314721
H 3.241901 -1.179829 1.073609
H 1.504938 -0.966218 1.548133
H -1.545110 0.792033 -1.974846
H -1.879342 0.804380 2.365106
H 2.664089 -3.682684 1.167211
H 0.924854 -3.311941 1.439319
H -3.985350 1.226533 -2.167199
H -4.351759 1.240064 2.167749
H 3.951883 4.200050 0.278889
H 3.485873 3.226315 1.678952
H 0.738313 -6.372883 -1.536400


