%chk=000237583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237583

0 1
Br -3.495935 -1.000205 -1.730930
Br 3.495263 1.002914 -1.730297
O -3.191911 1.327104 1.174401
O 3.191521 -1.327652 1.172417
N -1.467691 0.136092 0.322867
N 1.467180 -0.135669 0.322492
C -0.790211 -1.128110 -0.062234
C -0.557719 1.268918 0.668714
C 0.557255 -1.268885 0.667183
C 0.789646 1.128979 -0.061036
C -2.817637 0.295171 0.637752
C 2.817178 -0.295119 0.636976
C -3.754518 -0.828390 0.216952
C 3.753973 0.828970 0.217388
C -5.223566 -0.563181 0.604303
C 5.223062 0.563463 0.604370
C -5.826252 0.629459 -0.136209
C -6.058629 -1.828259 0.391315
C 5.825851 -0.628254 -0.137553
C 6.057988 1.828868 0.392808
H -0.626609 -1.125406 -1.168134
H -1.424424 -2.010204 0.175374
H -0.414249 1.311854 1.772798
H -1.056740 2.225956 0.378997
H 0.413925 -1.313078 1.771234
H 1.056229 -2.225598 0.376306
H 0.625924 1.127546 -1.166924
H 1.423876 2.010806 0.177514
H -3.427404 -1.802443 0.651312
H 3.426796 1.802523 0.652816
H -5.213695 -0.315930 1.702806
H 5.213281 0.314952 1.702587
H -5.957534 0.440087 -1.207187
H -5.187987 1.520852 -0.030039
H -6.809693 0.889593 0.270355
H -6.081341 -2.129126 -0.664303
H -7.099778 -1.662567 0.694619
H -5.683377 -2.677431 0.970469
H 6.809320 -0.888772 0.268692
H 5.187674 -1.519837 -0.032433
H 5.957098 -0.437606 -1.208310
H 5.682679 2.677329 0.972964
H 7.099166 1.662926 0.695872
H 6.080614 2.130959 -0.662463


%chk=000237583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237583

0 1
Br -3.757296 -1.161343 -1.875764
Br 3.757641 1.161915 -1.876713
O -3.226549 1.513478 0.885092
O 3.226283 -1.513841 0.883578
N -1.452659 0.155141 0.298615
N 1.452201 -0.155650 0.297536
C -0.805232 -1.100258 -0.150435
C -0.540354 1.299063 0.567080
C 0.540077 -1.299685 0.566089
C 0.804474 1.099974 -0.150445
C -2.812001 0.387734 0.456726
C 2.811632 -0.388280 0.454836
C -3.794224 -0.760901 0.159468
C 3.793621 0.760804 0.158412
C -5.238353 -0.511073 0.645520
C 5.237645 0.511476 0.645057
C -5.993399 0.606655 -0.109816
C -6.050579 -1.826407 0.664299
C 5.994535 -0.603762 -0.112123
C 6.048422 1.827645 0.667275
H -0.655087 -1.086583 -1.247533
H -1.451975 -1.963630 0.071519
H -0.386537 1.410728 1.658529
H -1.029747 2.223936 0.215849
H 0.386992 -1.411862 1.657588
H 1.029225 -2.224397 0.214092
H 0.653600 1.086847 -1.247446
H 1.451374 1.963231 0.071501
H -3.424474 -1.715485 0.575984
H 3.423297 1.715088 0.575109
H -5.105245 -0.164023 1.693726
H 5.104104 0.162107 1.692443
H -6.187406 0.309998 -1.155992
H -5.416286 1.544113 -0.101757
H -6.967105 0.789826 0.380130
H -6.194927 -2.215107 -0.360128
H -7.049038 -1.647852 1.101881
H -5.552493 -2.611786 1.264701
H 6.968138 -0.786787 0.378084
H 5.418539 -1.541915 -0.106429
H 6.188884 -0.304651 -1.157540
H 5.548950 2.611248 1.268849
H 7.046685 1.649266 1.105375
H 6.193246 2.218604 -0.356221


