%chk=000211699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211699

0 1
Br -5.594158 -0.936972 -0.202593
S 2.609672 1.380335 1.177073
S -0.036531 2.749521 1.349930
O 1.024667 -1.986175 0.145045
N 0.375529 0.181708 0.651570
C 2.763508 -0.378331 0.717556
C 3.646747 -0.538685 -0.514670
C 1.351959 -0.873138 0.459358
C 5.124813 -0.260846 -0.207680
C -1.045309 -0.071507 0.441050
C 0.840122 1.435897 1.042333
C 5.997583 -0.512348 -1.434225
C -1.736489 0.653324 -0.537433
C -1.681826 -1.049826 1.219197
C -3.104498 0.412240 -0.743714
C -3.040230 -1.295880 1.009609
C -3.736462 -0.568730 0.041571
C -3.854530 1.182641 -1.774273
H 3.192854 -0.942889 1.585955
H 3.301698 0.121391 -1.337868
H 3.536771 -1.576581 -0.905299
H 5.468285 -0.899058 0.630736
H 5.257265 0.786687 0.131508
H 5.930938 -1.551542 -1.777575
H 5.712405 0.130280 -2.275846
H 7.053066 -0.309687 -1.215181
H -1.223923 1.409892 -1.132874
H -1.129087 -1.617125 1.966870
H -3.548670 -2.056521 1.606983
H -4.690841 1.743511 -1.324688
H -3.228800 1.912866 -2.304172
H -4.292528 0.516947 -2.535753


%chk=000211699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211699

0 1
Br -5.647546 -0.981093 -0.247477
S 2.657110 1.436991 1.290500
S -0.077236 2.824155 1.476025
O 1.026973 -2.009306 0.160009
N 0.371129 0.198560 0.701576
C 2.766927 -0.383712 0.746714
C 3.651550 -0.579831 -0.504523
C 1.327327 -0.843945 0.508069
C 5.141386 -0.267072 -0.246899
C -1.039820 -0.065909 0.480227
C 0.840450 1.461043 1.127736
C 6.006987 -0.496747 -1.503695
C -1.735016 0.645568 -0.518992
C -1.690734 -1.047407 1.254372
C -3.109529 0.408803 -0.769970
C -3.056625 -1.307981 1.021083
C -3.741628 -0.582236 0.026216
C -3.838343 1.191402 -1.841152
H 3.181633 -0.953660 1.597880
H 3.267244 0.052702 -1.327859
H 3.539118 -1.635648 -0.821971
H 5.510758 -0.904503 0.582194
H 5.248044 0.784116 0.088591
H 5.938994 -1.545475 -1.848503
H 5.680022 0.153630 -2.336165
H 7.070317 -0.276101 -1.301199
H -1.210466 1.402663 -1.109647
H -1.146385 -1.605792 2.020615
H -3.579877 -2.065873 1.609963
H -4.684972 1.759016 -1.413127
H -3.161013 1.905113 -2.338039
H -4.262778 0.519930 -2.610054


