%chk=000274693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274693

0 1
Br -1.710339 -3.151419 2.301121
O -1.835520 -1.197923 -0.665161
O 0.710829 -1.875994 -1.875451
O 0.518368 0.665506 2.154797
O 4.471251 -0.142776 0.024217
N 2.550730 -0.975522 -0.949146
N 2.468695 0.299746 1.078623
C 0.295571 -0.254969 -0.083012
C -0.153373 0.966213 -0.933213
C -0.947092 -1.054701 0.450392
C -0.793292 2.101107 -0.128772
C 1.129152 -1.121228 -1.034442
C 1.050776 0.260349 1.146497
C -0.535575 -2.460824 0.899494
C -1.284719 3.219572 -1.058747
C 3.266806 -0.255273 0.039877
C -3.253996 -1.118918 -0.373318
C -1.942993 4.349957 -0.272337
C -3.714761 0.322647 -0.267153
H 0.710753 1.357751 -1.505646
H -0.887791 0.585882 -1.686473
H -1.424474 -0.463356 1.269849
H -0.082132 2.517934 0.611322
H -1.648043 1.709948 0.470358
H 0.488384 -2.507238 1.304381
H -0.601508 -3.162130 0.038211
H -0.437706 3.620828 -1.649893
H -2.002463 2.811183 -1.797825
H 3.118747 -1.463278 -1.663183
H 2.974302 0.747035 1.861922
H -3.667032 -1.629071 -1.266975
H -3.490166 -1.706766 0.529276
H -2.814873 3.999592 0.291944
H -2.285358 5.149316 -0.939958
H -1.249453 4.801370 0.447235
H -3.075158 0.908183 0.415848
H -3.674097 0.831384 -1.238975
H -4.744451 0.389982 0.101516


%chk=000274693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274693

0 1
Br -2.028925 -2.967607 2.310200
O -1.901401 -0.845268 -0.776021
O 0.748880 -2.041885 -1.740503
O 0.547342 0.539564 2.266718
O 4.538356 0.048835 -0.059147
N 2.589499 -0.884398 -0.958984
N 2.496592 0.371878 1.036841
C 0.344319 -0.246298 -0.071748
C 0.066593 1.051470 -0.948313
C -1.001941 -0.925720 0.370676
C -0.732887 2.165860 -0.242336
C 1.201340 -1.159601 -0.972142
C 1.104360 0.219286 1.185987
C -0.752417 -2.376379 0.839525
C -1.009522 3.345121 -1.205522
C 3.296926 -0.127929 -0.008442
C -3.323945 -1.183430 -0.538696
C -1.811243 4.479746 -0.532517
C -4.056483 -0.194538 0.380559
H 1.038644 1.456144 -1.294804
H -0.495930 0.700217 -1.830585
H -1.381264 -0.326335 1.221098
H -0.191968 2.540522 0.647979
H -1.697359 1.760337 0.115422
H 0.236930 -2.503194 1.306609
H -0.887357 -3.090918 0.015851
H -0.047138 3.746124 -1.584788
H -1.563407 2.971467 -2.090253
H 3.161967 -1.360311 -1.664206
H 3.001083 0.822385 1.807476
H -3.752320 -1.161200 -1.555159
H -3.409156 -2.215740 -0.147373
H -2.790577 4.113538 -0.171100
H -1.999923 5.310750 -1.236247
H -1.265720 4.889956 0.337800
H -3.672236 -0.227050 1.415265
H -3.972095 0.838278 -0.001750
H -5.129617 -0.459578 0.419829


