%chk=000208708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208708

0 1
Br 6.811432 -2.140383 3.017433
O -1.840298 -3.232679 -0.125008
O -4.029515 3.508429 0.932193
O -1.888008 3.778788 0.961240
O -6.067690 -0.638225 -0.036880
O -5.006769 -2.113514 -1.206327
N 4.987809 -0.171188 -0.220193
N -0.272805 1.825104 0.354282
N -2.895776 3.093244 0.778625
N -5.049991 -1.099319 -0.521472
N -2.624050 -2.754642 -2.219580
C 3.657735 0.259336 -0.118878
C 5.479925 -1.292711 0.624176
C 5.779444 0.088670 -1.453764
C 1.049578 1.263945 0.182644
C 3.123506 1.186143 -1.055300
C 2.841297 -0.154932 0.968608
C -1.418123 1.128049 0.138615
C 1.836986 1.682752 -0.903274
C 1.555545 0.344051 1.117326
C 6.157222 -0.698954 1.861118
C 5.425802 -0.853758 -2.601623
C -2.714726 1.715822 0.349655
C -1.376870 -0.244655 -0.306420
C -2.517881 -0.971371 -0.508857
C -3.798344 -0.373140 -0.296794
C -3.874478 0.945286 0.143582
C -2.340015 -2.432526 -0.892523
H 4.647704 -1.977059 0.917239
H 6.197048 -1.924109 0.049751
H 6.859664 -0.000406 -1.195165
H 5.623322 1.150049 -1.760610
H 3.724332 1.520444 -1.899962
H 3.215714 -0.870809 1.699977
H 1.438387 2.395753 -1.627484
H 0.937983 0.020098 1.958392
H -0.311371 2.819962 0.663709
H 7.022092 -0.065707 1.596388
H 5.463174 -0.080439 2.458906
H 5.631054 -1.902480 -2.355442
H 4.362728 -0.792401 -2.869748
H 6.003639 -0.613148 -3.502427
H -0.395682 -0.708538 -0.466332
H -4.863426 1.407652 0.331365
H -2.613292 -3.740002 -2.464842
H -3.322710 -2.221984 -2.726119


%chk=000208708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208708

0 1
Br 6.347882 -3.170347 2.572113
O -1.380337 -3.083613 -0.279147
O -3.887939 3.761594 0.346918
O -1.647106 3.863065 -0.068009
O -6.236331 -0.201446 0.692746
O -5.749942 -1.916968 -0.706234
N 5.127171 -0.214287 -0.284727
N -0.261184 1.648659 -0.263677
N -2.765855 3.182852 0.089512
N -5.392573 -0.863657 -0.024669
N -3.587630 -3.461034 -0.849772
C 3.794895 0.222238 -0.278461
C 5.512986 -1.514753 0.291563
C 6.199205 0.568297 -0.941765
C 1.055411 1.111748 -0.270724
C 3.401416 1.431177 -0.939081
C 2.769326 -0.509384 0.404056
C -1.473099 1.003543 -0.227765
C 2.067344 1.861424 -0.928095
C 1.435139 -0.076510 0.409311
C 5.816937 -1.371313 1.796204
C 6.309663 0.305441 -2.461556
C -2.712214 1.730529 -0.036373
C -1.600012 -0.410752 -0.390958
C -2.806290 -1.122541 -0.355311
C -4.011209 -0.352198 -0.117746
C -3.932508 1.042490 0.047838
C -2.557928 -2.642611 -0.486488
H 4.723012 -2.268784 0.130554
H 6.412574 -1.886391 -0.230062
H 7.155034 0.303042 -0.453486
H 6.043820 1.644695 -0.744278
H 4.134233 2.034204 -1.480510
H 3.008356 -1.419347 0.961128
H 1.796711 2.783929 -1.454933
H 0.704906 -0.651882 0.984955
H -0.367107 2.684169 -0.260891
H 6.671715 -0.705332 1.988945
H 4.940636 -1.047124 2.376547
H 6.527769 -0.758902 -2.661738
H 5.371729 0.562189 -2.983411
H 7.126213 0.909773 -2.897361
H -0.708534 -1.018907 -0.556498
H -4.843674 1.616643 0.234267
H -3.387084 -4.458386 -0.923278
H -4.534225 -3.080735 -0.999451


