%chk=000218862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218862

0 1
Br 5.391663 -2.810256 0.957155
S -6.654527 0.179629 1.577531
O 2.279675 0.865635 -0.216919
N -5.011438 0.201188 -0.546893
N 3.906485 -0.758423 0.315466
C -3.767358 -0.541630 -0.157783
C -2.555947 0.385086 -0.357885
C -6.143076 -0.715207 -0.891191
C -1.245657 -0.356538 -0.068388
C -5.480674 1.127182 0.495664
C -6.905296 -1.157639 0.363876
C -0.037303 0.565427 -0.265857
C 1.260482 -0.182178 0.015661
C 3.576745 0.521312 -0.052431
C 4.539508 1.538614 -0.278613
C 5.878979 1.207606 -0.115435
C 5.221540 -1.012097 0.456129
C 6.252363 -0.096817 0.261648
H -3.799879 -0.922354 0.886155
H -3.665060 -1.432030 -0.815691
H -2.558429 0.777317 -1.395413
H -2.642642 1.275926 0.293773
H -6.817653 -0.149639 -1.575808
H -5.772138 -1.585341 -1.470272
H -1.157757 -1.240874 -0.730447
H -1.255194 -0.751003 0.967289
H -6.035336 1.964148 0.022884
H -4.667184 1.546799 1.115219
H -6.521729 -2.104406 0.780033
H -7.983815 -1.288925 0.174665
H -0.019923 0.972561 -1.297769
H -0.109502 1.453530 0.394953
H 1.359753 -0.529624 1.057625
H 1.458386 -1.012973 -0.682074
H 4.215151 2.534279 -0.568587
H 6.652420 1.960570 -0.279461
H 7.294070 -0.373055 0.393790


%chk=000218862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218862

0 1
Br 5.460431 -2.996668 0.969531
S -6.528207 0.095418 1.804041
O 2.341944 0.987450 -0.243000
N -5.116917 0.177662 -0.587088
N 3.884107 -0.726841 0.295510
C -3.818326 -0.479545 -0.256039
C -2.612263 0.455858 -0.472466
C -6.235755 -0.766985 -0.820410
C -1.269393 -0.253948 -0.187287
C -5.579831 1.136871 0.385469
C -6.747667 -1.316594 0.556497
C -0.058442 0.694662 -0.346915
C 1.261528 -0.026906 -0.075370
C 3.641004 0.568975 -0.038421
C 4.676789 1.529014 -0.189606
C 5.999755 1.099847 0.020655
C 5.155991 -1.101425 0.487947
C 6.270402 -0.249835 0.370612
H -3.816148 -0.856324 0.794155
H -3.715676 -1.355540 -0.923918
H -2.634572 0.829302 -1.514332
H -2.696822 1.343764 0.185556
H -7.057622 -0.217458 -1.315174
H -5.911296 -1.582841 -1.488718
H -1.157526 -1.119601 -0.872700
H -1.282038 -0.668669 0.842190
H -6.340643 1.810356 -0.034584
H -4.766915 1.696056 0.866733
H -6.154885 -2.181153 0.897439
H -7.812945 -1.592249 0.508394
H -0.039714 1.115193 -1.370686
H -0.155428 1.548326 0.351041
H 1.314432 -0.435066 0.951188
H 1.441003 -0.857016 -0.783697
H 4.428054 2.557523 -0.459521
H 6.828338 1.807339 -0.085065
H 7.284955 -0.613149 0.540635


