%chk=000180990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180990

0 1
Br -1.454445 2.231180 -1.927556
Cl 1.064037 0.720129 -2.779825
O -0.532084 1.518535 1.142320
O 0.064415 3.705844 1.220447
O 5.313476 -1.124776 1.316834
O -4.079056 -1.801315 -0.344890
C 1.097716 2.182932 -0.398915
C 0.447303 1.989339 -1.777515
C 1.323115 3.189268 -1.527222
C 2.188999 1.281258 0.050117
C 0.184117 2.611838 0.728349
C 1.959507 -0.098627 0.138585
C 3.446209 1.813378 0.395692
C 2.974775 -0.961207 0.557864
C 4.468214 0.975030 0.816924
C 4.222258 -0.415013 0.892203
C -1.603368 1.728171 2.119057
C -2.852828 1.184897 1.481144
C -2.801575 -0.059728 0.838829
C -4.051561 1.906404 1.541843
C 5.191431 -2.580291 1.448191
C -3.972158 -0.550167 0.255154
C -5.213045 1.380689 0.960133
C -5.189723 0.150302 0.306025
C 6.566026 -2.995261 1.932187
C -2.950014 -2.403154 -0.912268
C -1.994195 -1.696980 -1.649396
C -2.917801 -3.797713 -0.768259
C -0.966052 -2.422311 -2.256884
C -1.884097 -4.497076 -1.393239
C -0.907931 -3.814632 -2.130300
H 0.883488 4.189435 -1.454062
H 2.305927 3.245805 -2.003647
H 0.975499 -0.500875 -0.117120
H 3.614157 2.889929 0.336306
H 2.782771 -2.026651 0.619499
H 5.448620 1.358163 1.091488
H -1.284412 1.133949 2.996602
H -1.666257 2.799791 2.391292
H -1.864523 -0.614101 0.794324
H -4.087664 2.875450 2.034725
H 4.940019 -2.997897 0.458411
H 4.394642 -2.796987 2.180063
H -6.145263 1.944192 1.014162
H -6.078812 -0.273445 -0.155478
H 6.627803 -4.079330 2.080379
H 6.818827 -2.505798 2.883711
H 7.346943 -2.703449 1.215474
H -2.055528 -0.615405 -1.759121
H -3.687238 -4.304048 -0.190355
H -0.208721 -1.892714 -2.836708
H -1.837170 -5.582113 -1.302939
H -0.105374 -4.369942 -2.610237


%chk=000180990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180990

0 1
Br -1.336078 2.360315 -2.526287
Cl 1.438620 0.995560 -3.174561
O -0.320936 1.476756 1.282675
O -0.609188 3.675871 0.560344
O 5.287396 -1.106111 1.427889
O -4.064902 -1.900700 -0.163438
C 1.039869 2.217047 -0.550497
C 0.578082 2.173458 -2.035907
C 1.351666 3.369863 -1.548131
C 2.140746 1.306450 -0.067263
C -0.043883 2.563183 0.464889
C 1.957137 -0.093644 0.007510
C 3.375309 1.856835 0.362851
C 2.977408 -0.936748 0.493744
C 4.401218 1.031174 0.856493
C 4.206220 -0.371294 0.923393
C -1.460263 1.632158 2.251589
C -2.746635 1.130033 1.627884
C -2.768078 -0.148515 1.020398
C -3.922336 1.916767 1.657571
C 5.143411 -2.573894 1.520122
C -3.958790 -0.617984 0.427904
C -5.119317 1.415077 1.093918
C -5.145056 0.149407 0.471795
C 6.448339 -3.108690 2.103204
C -2.954639 -2.479217 -0.838050
C -2.062020 -1.718242 -1.629358
C -2.843633 -3.884031 -0.756920
C -1.032263 -2.383617 -2.331692
C -1.814161 -4.536129 -1.471527
C -0.901795 -3.790778 -2.255527
H 0.791115 4.297363 -1.394806
H 2.381297 3.477243 -1.900472
H 1.008389 -0.533331 -0.316910
H 3.533051 2.940672 0.316304
H 2.805882 -2.016215 0.532037
H 5.355779 1.445485 1.194354
H -1.137017 1.012611 3.104434
H -1.536296 2.690637 2.551890
H -1.858635 -0.756857 0.996446
H -3.900472 2.916475 2.104893
H 4.952497 -2.988645 0.508999
H 4.279799 -2.818911 2.172055
H -6.031264 2.020925 1.121327
H -6.055164 -0.250542 0.015201
H 6.400374 -4.209017 2.194920
H 6.631487 -2.681390 3.103746
H 7.300870 -2.848071 1.453258
H -2.171654 -0.631991 -1.708682
H -3.560170 -4.439921 -0.144829
H -0.341721 -1.795247 -2.946392
H -1.725826 -5.626672 -1.413338
H -0.104371 -4.300061 -2.807051


