%chk=000218746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218746

0 1
Br -9.553687 0.997772 0.732908
S 7.343539 0.340018 -1.198027
S 8.044731 0.108947 0.721850
O -3.881341 -0.762713 0.085724
O 6.948815 1.130999 1.479414
O 7.760487 -1.205871 1.182703
O 9.312557 0.743660 0.854382
N 3.408274 -0.504534 -0.610565
N -5.422369 0.994708 0.368648
C 0.957696 -0.541047 -0.308560
C -0.309643 0.302025 -0.123583
C 2.212023 0.347722 -0.324786
C -1.560420 -0.583395 -0.103864
C -2.815924 0.262221 0.075892
C 4.678919 0.284313 -0.552213
C 5.775844 -0.586985 -1.160496
C -5.159810 -0.339533 0.233503
C -6.153956 -1.351281 0.236191
C -7.473254 -0.949592 0.386107
C -6.723986 1.361656 0.514039
C -7.761828 0.419575 0.526472
H 0.901187 -1.116523 -1.256023
H 1.032336 -1.297920 0.495981
H -0.243263 0.884307 0.816821
H -0.387857 1.047980 -0.939732
H 2.130506 1.102669 -1.139073
H 2.296165 0.912183 0.629122
H -1.496310 -1.335960 0.708718
H -1.636953 -1.174153 -1.039990
H 3.453594 -1.276090 0.066058
H -2.854109 0.805590 1.034549
H -3.012019 0.952589 -0.761204
H 4.949159 0.607953 0.481522
H 4.551997 1.217348 -1.148346
H 5.897139 -1.550221 -0.621989
H 5.533070 -0.853431 -2.213510
H -5.868864 -2.394060 0.123332
H -8.278140 -1.689050 0.394865
H -6.911064 2.439237 0.620828
H 7.304958 1.767586 2.121631


%chk=000218746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218746

0 1
Br -9.756670 1.099315 0.657383
S 7.319660 0.518735 -1.460679
S 8.406436 -0.061506 0.693774
O -4.042912 -0.932338 0.051898
O 8.216478 1.607463 1.496170
O 7.415029 -1.100309 1.454704
O 9.989343 -0.391186 0.643234
N 3.393034 -0.269752 -0.443027
N -5.555686 0.867958 0.344650
C 0.915679 -0.485214 -0.277869
C -0.422511 0.265108 -0.097191
C 2.126038 0.468661 -0.291534
C -1.640335 -0.687628 -0.100055
C -2.950798 0.079623 0.078704
C 4.623901 0.515351 -0.600663
C 5.747185 -0.418693 -1.086383
C -5.338319 -0.463525 0.190779
C -6.381371 -1.429597 0.162167
C -7.704372 -0.976676 0.300291
C -6.842995 1.302334 0.478662
C -7.933295 0.412484 0.460824
H 0.904414 -1.062194 -1.222516
H 1.034672 -1.221942 0.544587
H -0.399751 0.836754 0.853741
H -0.536039 1.012937 -0.909390
H 2.038337 1.170238 -1.145045
H 2.114599 1.094391 0.635274
H -1.541051 -1.432178 0.713188
H -1.676548 -1.251769 -1.051652
H 3.488315 -1.060610 0.207330
H -2.991270 0.623320 1.041130
H -3.122414 0.811583 -0.732665
H 4.956501 1.032856 0.329239
H 4.435884 1.301475 -1.356905
H 5.996193 -1.167808 -0.305171
H 5.462003 -0.964195 -2.005156
H -6.143740 -2.488387 0.035400
H -8.538936 -1.683237 0.283837
H -6.988980 2.380071 0.601236
H 8.912492 1.666785 2.216998


