%chk=000266874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266874

0 1
Br 4.164046 1.535857 1.635692
S -0.463360 -0.898525 -1.838207
O 0.561267 -1.916266 -1.990084
O -1.167293 -0.432137 -3.017040
O 3.357396 -1.046114 -0.103267
O 1.335461 1.814610 2.581631
O 1.678012 -1.146145 1.407249
N 0.412141 0.458123 -1.179014
C 2.656843 1.522166 -0.797057
C 1.747464 0.753750 -1.771906
C 2.522676 1.034373 0.646656
C -0.283637 1.586557 -0.634808
C 0.158070 2.160917 0.575455
C 1.310291 1.676208 1.383305
C 2.436352 -0.489803 0.730617
C -1.589323 -1.294929 -0.617266
C -1.426303 2.095272 -1.284740
C -0.572427 3.235979 1.120775
C -2.126326 3.161909 -0.727861
C -1.699913 3.737677 0.476834
C -2.957865 -1.080534 -0.843939
C -1.168729 -1.847022 0.600249
C -3.894474 -1.407239 0.132381
C -2.102326 -2.174235 1.582652
C -3.472137 -1.955511 1.358561
C 3.284576 -2.511311 -0.302428
C -4.462613 -2.300729 2.417868
C 4.677614 -2.885528 -0.752539
H 3.705958 1.396721 -1.152401
H 2.453472 2.612086 -0.842093
H 1.645292 1.334339 -2.716868
H 2.229008 -0.227668 -2.028966
H -1.751821 1.666815 -2.239926
H -0.242055 3.668199 2.071809
H -3.008218 3.555552 -1.236043
H -2.250860 4.571333 0.908722
H -3.292760 -0.655662 -1.798482
H -0.099397 -2.022676 0.794745
H -4.953396 -1.237646 -0.052480
H -1.762128 -2.592634 2.529813
H 2.982539 -2.986276 0.646571
H 2.502938 -2.657422 -1.078382
H -5.503800 -2.149446 2.103329
H -4.370373 -3.352486 2.729606
H -4.307038 -1.687872 3.320210
H 4.738053 -3.953037 -0.998561
H 4.976635 -2.318629 -1.645231
H 5.425072 -2.671761 0.023759


%chk=000266874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266874

0 1
Br 4.377588 1.606460 1.594665
S -0.389415 -0.878787 -1.911439
O 0.756827 -2.025945 -2.045462
O -1.200950 -0.443848 -3.261364
O 3.384677 -1.057649 -0.102794
O 1.571329 2.075315 2.622416
O 1.790581 -1.016765 1.596067
N 0.558260 0.546904 -1.098283
C 2.789835 1.585228 -0.843338
C 1.818233 0.868989 -1.819957
C 2.629626 1.106274 0.621720
C -0.215731 1.633732 -0.575062
C 0.231358 2.229318 0.646336
C 1.465535 1.809898 1.399498
C 2.529744 -0.425511 0.774252
C -1.659573 -1.286613 -0.579966
C -1.406017 2.092635 -1.194202
C -0.540629 3.275442 1.219314
C -2.159517 3.126797 -0.599537
C -1.727122 3.722895 0.609011
C -3.001965 -1.308833 -0.988576
C -1.226870 -1.611585 0.716583
C -3.970619 -1.672291 -0.026796
C -2.220691 -1.962251 1.655187
C -3.597498 -2.000870 1.302596
C 3.367427 -2.562667 -0.092353
C -4.641831 -2.381441 2.335212
C 4.518169 -3.017930 -0.980867
H 3.817656 1.378377 -1.181425
H 2.639145 2.679170 -0.865586
H 1.639821 1.510586 -2.706079
H 2.255722 -0.090664 -2.140586
H -1.728424 1.638692 -2.137494
H -0.186014 3.711617 2.158868
H -3.078082 3.472471 -1.086323
H -2.308867 4.529757 1.066142
H -3.271580 -1.054639 -2.018738
H -0.171839 -1.574902 1.007649
H -5.027053 -1.700336 -0.315924
H -1.915523 -2.206640 2.679082
H 3.473629 -2.894768 0.955477
H 2.382556 -2.871624 -0.483872
H -5.653192 -2.422713 1.897376
H -4.422435 -3.369712 2.779546
H -4.662021 -1.651308 3.165878
H 4.552399 -4.122529 -0.999190
H 4.380331 -2.662852 -2.016163
H 5.485614 -2.645685 -0.602598


