%chk=000293743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293743

0 1
Br 2.635805 5.823117 -0.214763
O -3.928770 -0.665845 -0.821158
O 3.168562 -1.089066 2.042848
O -3.761522 0.108882 1.313485
N 2.268718 -0.848438 -0.051426
N 0.516600 -3.251749 1.599934
C 0.869004 -0.872552 0.505494
C -0.220540 -0.722946 -0.558293
C 0.708526 0.219097 1.605236
C 0.087899 -0.567934 -1.920223
C 2.482164 -0.711307 -1.450462
C 1.165609 1.577758 1.159824
C -1.561505 -0.751638 -0.139956
C 1.479356 -0.576257 -2.340093
C 3.372578 -0.921224 0.858479
C 0.675989 -2.211096 1.130234
C -0.951592 -0.415637 -2.865514
C -2.560516 -0.597374 -1.096820
C -2.279843 -0.421427 -2.465294
C 2.367352 2.105798 1.659499
C 0.398050 2.332316 0.258554
C 4.741645 -0.773962 0.274194
C 2.805846 3.370085 1.258048
C 0.830650 3.595855 -0.151667
C 2.032939 4.097830 0.351311
C 5.230853 0.502317 -0.036247
C 5.545306 -1.909042 0.112440
C 6.534179 0.637971 -0.520319
C 6.847338 -1.763593 -0.375982
C -4.459967 -0.303500 0.422570
C 7.340514 -0.493319 -0.691452
C -5.924299 -0.506483 0.397585
C -6.664590 -0.068775 1.509803
C -6.569480 -1.119811 -0.687277
C -8.048927 -0.244849 1.529753
C -7.955227 -1.292682 -0.658183
C -8.693132 -0.855911 0.447434
H -0.353765 0.263970 1.934218
H 1.269305 -0.101530 2.518546
H 3.532372 -0.728314 -1.771120
H -1.821260 -0.886074 0.914351
H 1.689329 -0.475839 -3.404035
H -0.702628 -0.291248 -3.919914
H -3.096274 -0.302486 -3.175535
H 2.960511 1.528177 2.372409
H -0.541503 1.931713 -0.126424
H 3.735277 3.778402 1.656530
H 0.231226 4.176762 -0.853898
H 4.598882 1.382354 0.101808
H 5.161390 -2.896731 0.372766
H 6.923234 1.626929 -0.761852
H 7.479096 -2.642219 -0.504475
H 8.357496 -0.383236 -1.068435
H -6.150148 0.404398 2.350952
H -5.983608 -1.458675 -1.546085
H -8.627281 0.092587 2.389441
H -8.460529 -1.769345 -1.497531
H -9.775091 -0.992803 0.466987


%chk=000293743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293743

0 1
Br 1.510186 5.934256 0.242851
O -3.860380 -0.688596 -1.046643
O 3.189676 -1.847692 1.718911
O -3.568170 0.822477 0.728443
N 2.366924 -1.017893 -0.301968
N 0.480066 -3.695930 0.999752
C 0.955830 -1.163816 0.237872
C -0.120781 -0.869741 -0.843974
C 0.742020 -0.208299 1.492655
C 0.220391 -0.554950 -2.190046
C 2.607655 -0.793513 -1.677134
C 0.918267 1.268958 1.187160
C -1.475476 -0.936034 -0.465968
C 1.621533 -0.559847 -2.586999
C 3.427476 -1.305230 0.596927
C 0.750082 -2.577222 0.685562
C -0.815609 -0.282914 -3.123970
C -2.479262 -0.626063 -1.403688
C -2.168019 -0.302822 -2.738080
C 2.186693 1.886780 1.337694
C -0.180742 2.070543 0.780938
C 4.834614 -0.928923 0.218427
C 2.372444 3.260284 1.062124
C -0.013768 3.445650 0.500078
C 1.265540 4.020910 0.635101
C 5.169735 0.321771 -0.367744
C 5.870377 -1.818990 0.603990
C 6.522655 0.661623 -0.583008
C 7.219860 -1.483675 0.369569
C -4.318054 0.066224 0.069986
C 7.549776 -0.242805 -0.225452
C -5.765885 -0.161119 0.314281
C -6.383303 0.568078 1.365490
C -6.528698 -1.074497 -0.460809
C -7.753919 0.386895 1.636760
C -7.899602 -1.252812 -0.182536
C -8.514071 -0.523745 0.863618
H -0.278683 -0.402853 1.862022
H 1.438539 -0.540424 2.277455
H 3.655040 -0.853696 -1.971813
H -1.764328 -1.221687 0.549010
H 1.891913 -0.403650 -3.634318
H -0.548321 -0.046796 -4.159848
H -2.972383 -0.076747 -3.443734
H 3.038184 1.302514 1.705305
H -1.182008 1.633557 0.694004
H 3.353385 3.726494 1.192299
H -0.869143 4.053258 0.191338
H 4.381583 1.035564 -0.632505
H 5.601508 -2.760300 1.094012
H 6.774312 1.632197 -1.023911
H 8.012320 -2.182424 0.657842
H 8.598636 0.021270 -0.399735
H -5.774857 1.264372 1.952006
H -6.041871 -1.632758 -1.264735
H -8.229761 0.949871 2.446535
H -8.489008 -1.958349 -0.777571
H -9.579513 -0.665332 1.076465


