%chk=000237940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237940

0 1
Br -2.876833 5.338265 -0.319525
S -2.699776 1.932240 -0.084099
S 2.636442 2.201517 -0.083104
O -7.312801 -3.385293 -0.819081
O -7.320704 -3.236714 1.339395
O 7.795694 -2.436731 1.341246
O 7.802597 -2.588228 -0.817003
N -0.065849 2.242780 -0.095919
N -6.850602 -2.994058 0.240047
N 7.301752 -2.247099 0.241902
N 1.127908 4.353234 -0.237023
C -3.318276 -0.605892 0.088584
C 3.532094 -0.254514 0.089975
C -2.079325 0.223432 0.036029
C 2.210323 0.435370 0.037336
C -3.898068 -1.081077 -1.101175
C -3.906933 -0.913900 1.327981
C 4.151676 -0.494959 1.329283
C 4.159410 -0.665523 -1.099610
C -5.626807 -2.164057 0.187395
C -5.052535 -1.860557 -1.056818
C -5.061438 -1.692686 1.382438
C 5.995929 -1.553543 0.189044
C 5.383751 -1.144021 1.383858
C 5.391510 -1.315305 -1.055131
C -1.250975 2.916935 -0.146631
C 1.073739 2.989508 -0.143191
C -1.293865 4.319188 -0.243534
C -0.058368 5.004793 -0.286411
H -1.429760 -0.018191 -0.830949
H -1.436409 0.103525 0.932826
H 1.591711 0.121148 -0.828859
H 1.585201 0.242934 0.933958
H -3.449689 -0.836402 -2.065585
H -3.465459 -0.539196 2.253018
H 3.673037 -0.168705 2.254156
H 3.686791 -0.471919 -2.064014
H -5.515353 -2.236863 -1.976676
H -5.531107 -1.939664 2.341789
H 5.878164 -1.337026 2.343154
H 5.891907 -1.640276 -1.974883
H -0.010004 6.103229 -0.362092


%chk=000237940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237940

0 1
Br -2.983218 5.583410 -0.282523
S -2.795869 2.233755 0.006948
S 2.696280 2.487851 -0.187366
O -6.853449 -3.797042 -0.981008
O -6.865208 -3.767449 1.300365
O 7.477732 -2.838131 1.417468
O 7.335980 -3.200033 -0.830685
N -0.059762 2.542289 -0.101633
N -6.408703 -3.379976 0.156792
N 6.913912 -2.670030 0.268315
N 1.124251 4.655209 -0.331155
C -3.194482 -0.528766 0.135756
C 3.401117 -0.201869 0.092286
C -2.059598 0.464185 0.127036
C 2.163787 0.659344 0.031743
C -3.729102 -1.020227 -1.085389
C -3.742746 -0.986092 1.363461
C 4.070401 -0.415124 1.327227
C 3.915076 -0.808273 -1.084640
C -5.299666 -2.390946 0.149581
C -4.782259 -1.953956 -1.089251
C -4.796376 -1.920015 1.381263
C 5.702091 -1.813042 0.206845
C 5.222361 -1.221032 1.395483
C 5.065614 -1.618463 -1.037886
C -1.258394 3.190521 -0.122975
C 1.070872 3.297408 -0.206393
C -1.303485 4.606613 -0.248532
C -0.077964 5.298325 -0.350441
H -1.394310 0.349982 -0.741705
H -1.457902 0.437062 1.047683
H 1.517151 0.413601 -0.823861
H 1.570892 0.616944 0.958008
H -3.316648 -0.666179 -2.036540
H -3.340618 -0.607049 2.309388
H 3.685192 0.055853 2.238232
H 3.409429 -0.642542 -2.042226
H -5.205090 -2.346318 -2.017610
H -5.229691 -2.286450 2.315350
H 5.749656 -1.399216 2.336130
H 5.474379 -2.096239 -1.931852
H -0.052932 6.387805 -0.449588


