%chk=000268814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268814

0 1
Br 5.359027 -4.129770 1.942097
Br -7.326628 -2.056709 -0.008053
S 1.123723 -1.112331 -1.851090
S -1.023087 -1.164281 -1.102122
N 0.535800 0.872053 -0.279147
C 0.855918 2.106071 0.558299
C 0.484429 3.382060 -0.246921
C 0.699335 4.805131 0.342486
C 2.355562 2.035854 0.895868
C 0.053671 1.975722 1.864272
C -0.128673 5.037959 1.617244
C 2.180974 5.096752 0.634556
C 0.215171 5.807901 -0.735686
C 1.347073 0.678633 -1.494461
C -0.889179 0.634205 -0.565207
C 2.296096 -1.890577 -0.787812
C -2.764137 -1.348300 -0.782979
C 3.307935 -2.651492 -1.378151
C -3.212218 -1.579743 0.518420
C 2.173616 -1.790927 0.599513
C -3.653020 -1.335602 -1.858286
C 4.223184 -3.326885 -0.562736
C -4.575189 -1.793587 0.755828
C 3.090572 -2.458784 1.419209
C -5.018361 -1.551145 -1.632859
C 4.101979 -3.216666 0.824727
C -5.457568 -1.772735 -0.326366
H -0.588632 3.307718 -0.517615
H 1.036075 3.347012 -1.207712
H 2.622194 1.058280 1.317931
H 2.993031 2.205272 0.022046
H 2.621535 2.801113 1.640024
H 0.365965 2.740830 2.590148
H -1.023526 2.101056 1.710649
H 0.210203 0.994106 2.329048
H -1.186830 4.808151 1.459817
H 0.225765 4.414352 2.448946
H -0.066700 6.080485 1.946847
H 2.810712 4.907767 -0.239678
H 2.330156 6.142213 0.924784
H 2.559964 4.476129 1.457629
H 0.782286 5.710025 -1.665690
H 0.332674 6.841761 -0.394674
H -0.843105 5.667465 -0.974451
H 2.412725 0.929362 -1.322932
H 1.003950 1.221626 -2.400309
H -1.318654 1.244403 -1.382762
H -1.504487 0.772104 0.345973
H 3.391814 -2.726961 -2.463927
H -2.508420 -1.606552 1.350294
H 1.366280 -1.197051 1.044149
H -3.293658 -1.164718 -2.873277
H 5.015527 -3.927440 -1.010704
H -4.933896 -1.977200 1.767951
H 3.005254 -2.389642 2.504059
H -5.719408 -1.545473 -2.466804


%chk=000268814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268814

0 1
Br 4.840686 -2.872049 3.589154
Br -7.045842 0.102990 1.525963
S 2.174897 -1.555219 -2.322746
S -1.254936 -1.424503 -1.305797
N 0.653729 0.803410 -1.455888
C 0.794343 1.623097 -0.170654
C 0.252731 3.058080 -0.549358
C 0.410645 4.339788 0.350583
C 2.271363 1.655569 0.284500
C -0.042190 0.949140 0.949180
C 0.010826 4.132306 1.835406
C 1.847369 4.932038 0.283059
C -0.558460 5.397236 -0.261420
C 1.765786 0.390840 -2.255142
C -0.631826 0.401783 -1.910042
C 2.909618 -1.881481 -0.670403
C -2.855183 -0.965658 -0.531402
C 4.295584 -1.684308 -0.452494
C -3.118329 -1.351873 0.807678
C 2.099594 -2.383674 0.377534
C -3.854990 -0.267644 -1.256655
C 4.872887 -1.972309 0.805995
C -4.357553 -1.050381 1.416922
C 2.666184 -2.681649 1.639427
C -5.090106 0.060999 -0.651557
C 4.046077 -2.466792 1.836883
C -5.326412 -0.337625 0.680141
H -0.835128 2.940193 -0.737272
H 0.707850 3.308517 -1.529767
H 2.680056 0.635004 0.381015
H 2.917583 2.241207 -0.392742
H 2.324331 2.128842 1.278453
H 0.077277 1.497864 1.895877
H -1.119169 0.922286 0.711739
H 0.296622 -0.089712 1.101241
H -0.987522 3.666246 1.925223
H 0.737648 3.502639 2.380006
H -0.025046 5.110628 2.351173
H 2.157119 5.102628 -0.765845
H 1.877562 5.907413 0.804983
H 2.597519 4.279569 0.759187
H -0.348026 5.557081 -1.336164
H -0.449936 6.369881 0.253899
H -1.612719 5.075977 -0.164067
H 2.700107 0.876330 -1.956126
H 1.582431 0.549368 -3.333808
H -0.650299 0.298937 -3.005875
H -1.443019 1.056431 -1.561785
H 4.926871 -1.318048 -1.268650
H -2.351845 -1.887595 1.377179
H 1.030292 -2.538707 0.199321
H -3.686161 -0.002603 -2.306103
H 5.943410 -1.822146 0.972280
H -4.554532 -1.356141 2.448432
H 2.041499 -3.073631 2.447370
H -5.856468 0.598431 -1.217641


