%chk=000231835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231835

0 1
Br 5.472987 0.099142 1.018987
S -1.592684 -1.493238 -0.034780
O -2.477736 -1.964762 -1.065658
O -1.070768 -2.374074 0.980459
O 2.586441 1.150563 -3.272633
O 0.583689 0.368260 -3.127945
N -0.231468 -0.871246 -0.955875
N 1.714041 0.548736 -2.670169
C -2.213923 -0.065462 0.690443
C 1.073819 -0.670691 -0.535433
C 2.020465 0.025475 -1.346807
C 1.512188 -1.141188 0.741303
C -3.121445 0.735228 -0.014051
C -1.822939 0.291458 1.986870
C 3.341021 0.246383 -0.871598
C 2.795515 -0.917856 1.185958
C 3.713592 -0.208161 0.374438
C -3.627990 1.897949 0.572532
C -2.329117 1.453458 2.573733
C -3.229749 2.257478 1.864887
H -0.421355 -0.635745 -1.970967
H 0.831368 -1.740318 1.365018
H -3.444176 0.450141 -1.022368
H -1.127224 -0.342442 2.547865
H 4.046114 0.786901 -1.521749
H 3.112822 -1.294188 2.164233
H -4.333051 2.522460 0.023375
H -2.024760 1.732528 3.582444
H -3.624175 3.166811 2.322887


%chk=000231835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231835

0 1
Br 5.543159 0.317577 1.029657
S -1.625908 -1.539040 -0.117947
O -2.633911 -1.933752 -1.319358
O -1.148203 -2.601080 1.014216
O 2.729898 0.895375 -3.517289
O 0.642233 0.012070 -3.321268
N -0.164702 -0.908422 -1.057531
N 1.822962 0.305092 -2.819067
C -2.276000 0.007493 0.758860
C 1.110936 -0.661858 -0.582929
C 2.106959 -0.051967 -1.431363
C 1.512966 -0.980799 0.754330
C -3.044062 0.903705 -0.002317
C -1.993692 0.162523 2.124739
C 3.414506 0.236647 -0.958592
C 2.802205 -0.693353 1.216723
C 3.750015 -0.076625 0.358192
C -3.542437 2.050095 0.657978
C -2.504366 1.316936 2.763648
C -3.268510 2.255737 2.031735
H -0.332598 -0.743257 -2.072646
H 0.810444 -1.506479 1.405966
H -3.260433 0.707484 -1.057339
H -1.425982 -0.596898 2.671485
H 4.121015 0.701450 -1.650273
H 3.080451 -0.959896 2.240514
H -4.145626 2.774104 0.101252
H -2.309398 1.474883 3.829091
H -3.660421 3.145855 2.534932


