%chk=000180487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180487

0 1
Br -0.003684 2.454237 -2.525703
Br -0.536527 0.997747 3.005384
O 1.113575 1.552950 0.307402
O -0.552149 2.936702 0.535965
O -3.545912 -0.628139 -0.778265
O -3.335789 -3.003799 0.517729
N -1.631672 -4.402340 0.014731
C -2.138292 -0.692242 -0.580440
C -0.307699 1.569894 0.195359
C -1.579139 0.296201 -1.586072
C -1.804390 -0.356828 0.862841
C -0.747265 1.274721 -1.238148
C -0.975390 0.628396 1.195091
C -1.610940 -2.116430 -0.919455
C 1.746758 0.250455 0.137402
C 3.229542 0.616529 0.106351
C 4.107466 -0.634162 0.009474
C 5.597198 -0.263096 -0.023647
C -2.274659 -3.174944 -0.071097
C 6.485385 -1.501124 -0.119621
C -1.941012 3.339521 0.500539
H -1.938853 0.146940 -2.608362
H -2.313939 -0.985874 1.602102
H -0.507935 -2.132736 -0.826773
H -1.831139 -2.330245 -1.990200
H 1.479733 -0.381199 1.001819
H 1.401305 -0.206517 -0.803681
H 3.421244 1.305132 -0.742250
H 3.477879 1.206961 1.013538
H 3.848142 -1.212990 -0.897671
H 3.910629 -1.304824 0.868396
H 5.860302 0.317311 0.882969
H 5.798663 0.410177 -0.880275
H -4.018403 -1.297837 -0.194749
H 6.340502 -2.170715 0.735695
H 6.280293 -2.077804 -1.028401
H 7.545969 -1.224406 -0.140975
H -2.526578 2.774519 1.231762
H -2.347598 3.242340 -0.510464
H -1.864174 4.395923 0.792025
H -2.048407 -5.147683 0.555947
H -0.765139 -4.612621 -0.444673


%chk=000180487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180487

0 1
Br 0.027030 2.366564 -2.667753
Br -0.378019 0.928484 3.022668
O 1.175217 1.647868 0.274943
O -0.636214 2.957599 0.465838
O -3.665272 -0.498518 -0.668317
O -3.712535 -2.975786 0.451712
N -1.886885 -4.369881 0.191227
C -2.205081 -0.701001 -0.569523
C -0.271764 1.580652 0.153319
C -1.587912 0.230451 -1.592958
C -1.739094 -0.409420 0.850842
C -0.717658 1.211614 -1.268857
C -0.888137 0.595237 1.154433
C -1.863213 -2.181194 -0.964100
C 1.896178 0.388252 -0.011287
C 3.383502 0.687965 0.191971
C 4.273829 -0.545330 -0.082223
C 5.777278 -0.254424 0.130630
C -2.559743 -3.196394 -0.051582
C 6.672854 -1.481010 -0.145526
C -2.086464 3.230024 0.495018
H -1.916540 0.079398 -2.626880
H -2.169640 -1.038612 1.638096
H -0.768465 -2.330864 -0.966478
H -2.231384 -2.343792 -1.996381
H 1.555224 -0.410189 0.682397
H 1.696218 0.065918 -1.055712
H 3.671380 1.520831 -0.477528
H 3.533880 1.043161 1.229374
H 4.116652 -0.896181 -1.124206
H 3.969491 -1.382392 0.581414
H 5.935339 0.094562 1.171082
H 6.081103 0.584291 -0.527813
H -4.082627 -1.277561 -0.181339
H 6.407481 -2.324326 0.520122
H 6.559687 -1.829016 -1.189912
H 7.740664 -1.246038 0.017507
H -2.589761 2.664255 1.301660
H -2.568068 2.995279 -0.473239
H -2.155680 4.309077 0.695869
H -2.338658 -5.083037 0.765508
H -0.956297 -4.548412 -0.182416


