%chk=000295588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295588

0 1
Br -6.662115 1.949798 0.331133
Cl -1.333756 1.399611 1.702101
S 2.101429 -0.884549 1.021242
O 0.063385 0.888229 -0.692965
O -2.031585 -3.143576 0.156958
N -1.286562 -0.954283 -0.186483
N 2.447543 2.112026 0.487656
C 1.056697 -1.341049 -0.399004
C 0.363866 -2.675346 -0.128657
C -0.038434 -0.286504 -0.452006
C -1.121123 -2.380016 -0.015437
C -2.547892 -0.279187 -0.049903
C 3.474114 -0.108242 0.297544
C -2.674382 0.847281 0.787437
C -3.673089 -0.752798 -0.747496
C 3.503293 1.293592 0.109295
C 4.598214 -0.891255 -0.010200
C -3.892853 1.521907 0.900874
C -4.896825 -0.091994 -0.627718
C -4.991706 1.041257 0.186011
C 4.691722 1.885385 -0.416744
C 5.748504 -0.302490 -0.515826
C 5.785188 1.093305 -0.714822
H 1.646906 -1.349542 -1.343328
H 0.720690 -3.175615 0.800889
H 0.551240 -3.416756 -0.932367
H -3.591499 -1.647437 -1.369659
H 4.564414 -1.971167 0.152031
H -3.974421 2.402579 1.544082
H -5.769071 -0.464383 -1.170121
H 4.733395 2.960379 -0.569311
H 6.620089 -0.904446 -0.754771
H 6.693816 1.549569 -1.112401
H 2.416833 3.053288 0.125975
H 1.525674 1.707930 0.636586


%chk=000295588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295588

0 1
Br -7.121772 1.548011 0.462126
Cl -1.971263 0.596386 2.616760
S 2.162532 -0.557372 1.231481
O -0.222112 1.232621 -0.224292
O -2.003187 -3.112607 -0.076384
N -1.407622 -0.813639 -0.075196
N 2.665900 2.104711 -0.381420
C 0.969532 -0.960728 -0.236186
C 0.387003 -2.386954 -0.195124
C -0.234205 -0.020482 -0.183202
C -1.131493 -2.221182 -0.111332
C -2.728132 -0.268939 0.058924
C 3.684286 -0.026100 0.345342
C -3.120688 0.425742 1.227850
C -3.669483 -0.440152 -0.980713
C 3.757515 1.258671 -0.292351
C 4.815390 -0.874318 0.395001
C -4.411580 0.973651 1.355988
C -4.973039 0.085173 -0.871983
C -5.323360 0.795331 0.295468
C 5.017059 1.642299 -0.856123
C 6.048230 -0.475690 -0.162786
C 6.135149 0.794357 -0.787202
H 1.566437 -0.750079 -1.137484
H 0.731886 -2.960614 0.682018
H 0.642071 -2.980216 -1.090171
H -3.374154 -0.991491 -1.878142
H 4.717911 -1.847630 0.888105
H -4.693830 1.511952 2.263676
H -5.694981 -0.052512 -1.680550
H 5.099172 2.621100 -1.344927
H 6.919103 -1.135940 -0.110012
H 7.084309 1.123737 -1.225706
H 2.769296 3.010243 -0.832477
H 1.729821 1.838162 -0.058382


