%chk=000185094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185094

0 1
Br 4.482642 -2.704948 -0.898156
S 0.438193 2.071572 0.472445
O 0.249710 2.937751 -0.655894
O 0.791505 2.630749 1.763056
O -1.242445 0.157885 -1.099857
N -1.091267 1.313128 0.864629
N -3.113009 0.160000 0.265838
C -3.795399 -0.886066 -0.539351
C 1.504551 0.776010 0.095330
C -3.661502 -2.291036 0.067023
C -1.789590 0.497500 -0.057611
C 1.489189 0.189840 -1.174361
C 2.409276 0.329940 1.068481
C -4.478454 -2.472849 1.341573
C 2.377621 -0.850325 -1.477344
C 3.299095 -0.705840 0.778381
C 3.268011 -1.282991 -0.495802
H -3.370281 -0.876204 -1.573592
H -4.865338 -0.590269 -0.626073
H -3.982823 -3.035208 -0.690969
H -2.593638 -2.517606 0.262764
H -1.555137 1.600626 1.736125
H -3.452798 0.266714 1.217425
H 0.771433 0.530980 -1.937411
H 2.425856 0.798650 2.061231
H -5.539274 -2.246323 1.180914
H -4.420537 -3.508385 1.700624
H -4.122206 -1.832177 2.154866
H 2.360405 -1.308470 -2.467994
H 4.004510 -1.052549 1.534810


%chk=000185094-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185094

0 1
Br 4.994427 -2.499014 -0.874422
S 0.394039 2.034835 0.442215
O 0.144634 2.952331 -0.862833
O 0.771827 2.700136 1.878621
O -1.339729 0.043425 -1.170179
N -1.133778 1.107443 0.902202
N -3.140347 0.019575 0.332706
C -3.981169 -0.863337 -0.498832
C 1.661022 0.695661 0.053084
C -4.027051 -2.326539 0.000676
C -1.858031 0.369612 -0.060319
C 1.703291 0.151608 -1.239576
C 2.549872 0.355618 1.084615
C -4.651024 -2.482613 1.404233
C 2.707143 -0.804819 -1.512522
C 3.548594 -0.604077 0.804079
C 3.609322 -1.169553 -0.488562
H -3.562868 -0.822797 -1.518788
H -5.004923 -0.441499 -0.529484
H -4.613268 -2.914199 -0.733359
H -3.000183 -2.738552 -0.007940
H -1.526414 1.469236 1.779947
H -3.500201 0.323468 1.237719
H 0.971249 0.445508 -1.995611
H 2.477406 0.836487 2.065233
H -5.682718 -2.082513 1.431170
H -4.696764 -3.545396 1.701901
H -4.056219 -1.953821 2.173091
H 2.776157 -1.258429 -2.504550
H 4.264002 -0.897685 1.576587


