%chk=000266876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266876

0 1
Br -0.390065 0.906867 -3.001534
S -0.944369 1.262267 0.943626
O -0.869678 2.690416 0.710283
O -0.435090 0.693435 2.166804
O 2.583740 1.607325 -2.664801
N -0.024963 0.605398 -0.393537
C 0.417411 -0.768328 -0.351862
C 0.568019 1.470163 -1.371340
C 1.739930 -1.098731 0.017242
C 2.712761 -0.058313 0.409391
C 2.892303 1.106037 -0.358265
C 2.094935 1.374404 -1.590173
C -2.524083 0.667536 0.643390
C -0.506409 -1.769993 -0.692463
C 2.117565 -2.451273 0.021230
C 3.485333 -0.236043 1.571062
C 3.857461 2.055547 0.011658
C -0.110478 -3.107973 -0.667999
C 1.200350 -3.448037 -0.317151
C -3.110294 -0.239383 1.535763
C -3.235004 1.089576 -0.488195
C 4.426911 0.722678 1.946912
C 4.620729 1.866952 1.164005
C -5.113229 -0.300945 0.168455
C -4.396732 -0.722504 1.302766
C -4.521208 0.609013 -0.726480
C -6.492865 -0.803607 -0.089058
H 0.310798 2.557031 -1.187459
H -1.518474 -1.497174 -0.994927
H 3.140748 -2.723141 0.284548
H 3.330671 -1.118746 2.191958
H 4.008461 2.942135 -0.607472
H -0.822992 -3.888058 -0.934668
H -2.555415 -0.571043 2.422895
H -2.783257 1.797604 -1.193064
H 1.508430 -4.492700 -0.311610
H 5.013014 0.580340 2.855240
H 5.362906 2.608959 1.454500
H -4.846315 -1.424972 2.002521
H -5.069030 0.940598 -1.607469
H -6.601618 -1.190716 -1.113537
H -6.792088 -1.612138 0.591819
H -7.234719 0.002739 0.026694


%chk=000266876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266876

0 1
Br -0.459760 1.406460 -3.108601
S -1.109187 1.261950 1.041570
O -1.059850 2.864476 0.747770
O -0.672704 0.621637 2.466249
O 2.554555 2.058300 -2.547660
N 0.126926 0.564741 -0.307497
C 0.525708 -0.792922 -0.218310
C 0.575012 1.507359 -1.217790
C 1.872467 -1.105448 0.142387
C 2.886078 -0.048491 0.414693
C 3.006541 1.149790 -0.360843
C 2.100740 1.547359 -1.497786
C -2.816584 0.608442 0.607278
C -0.417484 -1.818523 -0.477795
C 2.230686 -2.477786 0.222414
C 3.845162 -0.275782 1.440146
C 4.085021 2.044444 -0.119017
C -0.042639 -3.171790 -0.367694
C 1.288271 -3.499315 -0.016778
C -3.363575 -0.380441 1.439286
C -3.481968 1.158018 -0.501774
C 4.886510 0.636824 1.697875
C 5.015718 1.802912 0.907852
C -5.385198 -0.325425 0.024010
C -4.663418 -0.841949 1.132157
C -4.776016 0.674001 -0.784608
C -6.786853 -0.813041 -0.289915
H 0.255157 2.525674 -0.907629
H -1.429725 -1.538887 -0.785296
H 3.268100 -2.744338 0.450862
H 3.749183 -1.171765 2.062292
H 4.172738 2.931731 -0.754147
H -0.771889 -3.961618 -0.575378
H -2.798169 -0.761868 2.295443
H -3.011675 1.926583 -1.123123
H 1.595861 -4.548149 0.052214
H 5.592877 0.440065 2.511424
H 5.827448 2.513641 1.093258
H -5.120434 -1.610910 1.764766
H -5.319713 1.079479 -1.645336
H -6.882854 -1.102890 -1.352017
H -7.065207 -1.682902 0.328102
H -7.531757 -0.016445 -0.103354


