%chk=000288905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288905

0 1
Br 6.120323 0.663805 0.246952
O 0.153746 -2.321306 -1.538256
N -1.738007 -0.482006 0.036610
C -0.797844 0.111772 1.035835
C -0.572877 -1.297172 0.486735
C -3.101952 -0.897264 0.485982
C -4.006684 0.352390 0.439453
C -3.602177 -1.980029 -0.492789
C 0.023235 1.279498 0.602091
C -5.458279 -0.029927 0.753669
C -5.054787 -2.354849 -0.177895
C 0.434749 -1.625362 -0.593687
C -5.967659 -1.120470 -0.199613
C 1.076458 1.705423 1.428211
C -0.242674 1.957640 -0.595576
C 1.816131 -1.082903 -0.379046
C 1.859468 2.798395 1.050348
C 0.540935 3.054952 -0.964027
C 2.486644 -1.299280 0.832059
C 2.431507 -0.362817 -1.411355
C 1.592492 3.475713 -0.144604
C 3.774702 -0.789339 1.018199
C 3.715509 0.161537 -1.229081
C 4.367090 -0.058176 -0.014476
H -1.110956 0.190646 2.092433
H -0.714829 -2.155766 1.163289
H -3.107483 -1.313089 1.526136
H -3.944121 0.819234 -0.564345
H -3.644928 1.116689 1.150633
H -2.949815 -2.871636 -0.447317
H -3.517611 -1.608181 -1.534597
H -6.103322 0.865912 0.678986
H -5.540221 -0.378341 1.800894
H -5.113645 -2.849031 0.810455
H -5.413299 -3.100419 -0.912928
H -6.999451 -1.408825 0.073383
H -6.023194 -0.717843 -1.229802
H 1.291744 1.180552 2.356366
H -1.060005 1.621999 -1.237897
H 2.681891 3.122189 1.686379
H 0.330515 3.581510 -1.893500
H 2.009497 -1.865531 1.631348
H 1.905657 -0.208188 -2.356438
H 2.203756 4.327844 -0.435099
H 4.301735 -0.960688 1.957163
H 4.191536 0.731640 -2.028081


%chk=000288905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288905

0 1
Br 6.336670 -3.025298 0.226936
O 0.468678 -0.020784 -2.068590
N -1.704636 0.045631 -0.123909
C -0.858071 0.754650 0.876836
C -0.362547 -0.547616 0.150825
C -2.877497 -0.717121 0.404065
C -4.064907 0.251113 0.594484
C -3.234491 -1.848242 -0.583255
C -0.348336 2.128457 0.587725
C -5.332079 -0.506363 1.058494
C -4.500017 -2.610158 -0.122667
C 0.683419 -0.532466 -0.930204
C -5.694656 -1.645979 0.076030
C 0.214240 2.893647 1.643085
C -0.420682 2.688452 -0.714898
C 2.021275 -1.141982 -0.606549
C 0.702247 4.196283 1.403558
C 0.065610 3.992187 -0.950323
C 2.424839 -1.462926 0.716952
C 2.925852 -1.379604 -1.675878
C 0.630039 4.749320 0.103505
C 3.699097 -2.014122 0.970800
C 4.197198 -1.937176 -1.441564
C 4.568183 -2.250206 -0.114839
H -1.089311 0.567960 1.940942
H -0.337493 -1.427862 0.814524
H -2.632266 -1.176828 1.399618
H -4.259294 0.751445 -0.374447
H -3.796157 1.043585 1.319939
H -2.378982 -2.543741 -0.690285
H -3.406655 -1.394062 -1.578545
H -6.176532 0.202429 1.155161
H -5.159322 -0.936880 2.067208
H -4.291086 -3.131992 0.834813
H -4.755276 -3.392458 -0.862664
H -6.578235 -2.202206 0.444183
H -5.974614 -1.206635 -0.903547
H 0.266477 2.468883 2.654182
H -0.860153 2.089396 -1.518099
H 1.132466 4.779501 2.225580
H 0.005812 4.418196 -1.958070
H 1.761343 -1.261915 1.564076
H 2.609653 -1.112398 -2.689535
H 1.006393 5.761270 -0.084618
H 4.010687 -2.251238 1.991866
H 4.886617 -2.123244 -2.269703


