%chk=000294790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294790

0 1
Br 1.634300 3.438535 -1.197103
S -1.788257 0.524924 2.152149
O 1.621129 0.544219 -1.919334
O -2.039024 1.699516 2.954683
O -2.218913 -0.776703 2.618235
O 2.652635 -3.944138 -0.132777
N -0.066553 0.461490 1.985025
C 0.597951 -0.677245 1.412752
C 1.364534 -0.582435 0.227252
C -2.323613 0.757085 0.533774
C 1.468157 0.672159 -0.547961
C 0.719983 1.625414 2.283376
C 0.485885 -1.909480 2.084747
C 2.049348 -1.708615 -0.238961
C 1.932749 -2.926161 0.454413
C 1.528928 1.919146 -0.031581
C 1.483450 2.264647 1.378886
C 1.141533 -3.041954 1.606188
C -3.138343 -0.203691 -0.076440
C -1.943685 1.901046 -0.180091
C -3.186124 1.116204 -2.111614
C -3.569558 -0.028631 -1.391054
C -2.366428 2.079318 -1.496457
C 0.525697 -0.143764 -2.617414
C -3.649719 1.318776 -3.514339
C 0.996935 -0.147370 -4.057383
C 2.650117 -5.235333 0.522710
H 0.621105 1.965841 3.323683
H -0.139859 -1.980793 2.982844
H 2.674729 -1.648399 -1.133106
H 2.087904 3.125949 1.684390
H 1.035627 -3.987018 2.131225
H -3.438122 -1.100574 0.480418
H -1.306269 2.662109 0.285865
H -4.207347 -0.778103 -1.855932
H -2.059255 2.968889 -2.045965
H 0.403629 -1.156071 -2.198614
H -0.391150 0.451920 -2.462251
H -2.860255 1.734904 -4.157175
H -3.997277 0.391624 -3.989792
H -4.491998 2.029138 -3.546061
H 0.225262 -0.531082 -4.732386
H 1.267448 0.868587 -4.382786
H 1.899463 -0.761381 -4.182187
H 3.305387 -5.820221 -0.136641
H 1.639056 -5.651681 0.539873
H 3.077606 -5.154796 1.526317


%chk=000294790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294790

0 1
Br 5.433556 2.637021 -1.183073
S -1.861154 0.758564 1.089241
O 2.997274 1.036421 -1.574601
O -1.490573 -0.707810 1.911497
O -0.589204 1.353634 0.160496
O -0.060732 -2.518152 -0.409982
N 3.683375 0.045000 2.839332
C 2.726996 -0.388256 1.953660
C 2.652327 -0.207248 0.485787
C -3.039608 0.112037 -0.274940
C 3.405803 0.781085 -0.285418
C 4.798312 0.751628 2.569515
C 1.707553 -1.183867 2.571395
C 1.716201 -0.981990 -0.229580
C 0.760209 -1.794516 0.418275
C 4.586659 1.450564 0.133645
C 5.238528 1.393932 1.385259
C 0.717221 -1.850873 1.852916
C -2.845741 0.536679 -1.599469
C -4.085426 -0.762239 0.076187
C -4.793237 -0.812328 -2.287334
C -3.722118 0.064151 -2.602718
C -4.956958 -1.222726 -0.937096
C 1.630180 1.670267 -1.834066
C -5.756302 -1.283497 -3.363585
C 1.194672 1.240966 -3.228163
C -1.189032 -3.266134 0.188169
H 5.459877 0.872970 3.438421
H 1.761351 -1.265809 3.659512
H 1.684384 -0.929678 -1.319199
H 6.172396 1.958634 1.478682
H -0.008686 -2.476556 2.371758
H -2.003777 1.201460 -1.824778
H -4.204000 -1.094352 1.113954
H -3.575058 0.381036 -3.642728
H -5.774027 -1.907084 -0.676848
H 0.914967 1.371069 -1.041825
H 1.815369 2.759137 -1.781130
H -6.622196 -0.598000 -3.447396
H -5.271206 -1.320002 -4.354806
H -6.156212 -2.288312 -3.140048
H 0.268333 1.782321 -3.494852
H 1.965817 1.482839 -3.979855
H 0.981758 0.158757 -3.273521
H -1.786133 -3.600837 -0.671249
H -1.761368 -2.576599 0.838799
H -0.811569 -4.137507 0.755162


