%chk=000242937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242937

0 1
Br 7.727567 1.022668 2.219561
Br -7.727584 -1.022866 2.219495
S 2.484293 -1.136398 -0.791316
S -2.484218 1.136434 -0.791056
O 2.794026 -1.436285 -2.174304
O 1.882074 -2.160543 0.046264
O -2.793930 1.436504 -2.174009
O -1.881965 2.160446 0.046662
N 1.453949 0.258052 -0.811716
N -1.453918 -0.258043 -0.811619
C 0.644300 0.426053 -2.050590
C 0.626929 0.452130 0.410553
C -0.644366 -0.425989 -2.050562
C -0.626809 -0.452208 0.410571
C 3.897092 -0.539559 0.020236
C -3.897046 0.539537 0.020405
C 4.278109 -1.105815 1.241091
C -4.277982 1.105554 1.241395
C 4.655655 0.485346 -0.551064
C -4.655709 -0.485179 -0.551101
C 5.420294 -0.644946 1.902501
C -5.420185 0.644632 1.902737
C 5.800946 0.957053 0.101245
C -5.801021 -0.956937 0.101137
C 6.166327 0.383941 1.320986
C -6.166318 -0.384066 1.321015
H 1.268013 0.173545 -2.941935
H 0.396010 1.509853 -2.145094
H 0.320280 1.531117 0.450651
H 1.238522 0.270971 1.318443
H -1.268145 -0.173432 -2.941846
H -0.396089 -1.509786 -2.145134
H -0.320166 -1.531200 0.450573
H -1.238336 -0.271099 1.318516
H 3.683349 -1.916846 1.682270
H -3.683146 1.916442 1.682734
H 4.363676 0.926429 -1.510051
H -4.363797 -0.926070 -1.510196
H 5.719371 -1.087460 2.854147
H -5.719198 1.086959 2.854489
H 6.393467 1.758324 -0.343858
H -6.393620 -1.758060 -0.344127


%chk=000242937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242937

0 1
Br 7.797179 0.997926 2.480567
Br -7.796433 -1.000545 2.480834
S 2.556209 -1.132867 -0.917058
S -2.556903 1.133328 -0.917073
O 2.974080 -1.335196 -2.479921
O 1.940025 -2.379537 -0.040755
O -2.974889 1.334998 -2.479991
O -1.941711 2.380674 -0.041034
N 1.429882 0.438019 -0.902789
N -1.429469 -0.436787 -0.902419
C 0.610695 0.475916 -2.150880
C 0.607655 0.484466 0.342572
C -0.610496 -0.474782 -2.150671
C -0.607035 -0.482514 0.342875
C 4.034200 -0.486092 0.054467
C -4.034470 0.485718 0.054540
C 4.267878 -1.043672 1.320768
C -4.268582 1.043379 1.320727
C 4.864522 0.479947 -0.536926
C -4.864086 -0.481028 -0.536690
C 5.395526 -0.597732 2.047649
C -5.395925 0.596765 2.047667
C 5.990001 0.923661 0.192725
C -5.989263 -0.925409 0.193019
C 6.236234 0.380983 1.474573
C -6.235915 -0.382665 1.474758
H 1.274433 0.242031 -3.001565
H 0.280577 1.528828 -2.251580
H 0.249168 1.529328 0.419264
H 1.257531 0.279478 1.212236
H -1.274384 -0.241111 -3.001296
H -0.280334 -1.527690 -2.251222
H -0.248457 -1.527313 0.420016
H -1.256786 -0.277197 1.212555
H 3.600000 -1.817094 1.714148
H -3.601267 1.817352 1.713981
H 4.651643 0.873105 -1.535223
H -4.650903 -0.874223 -1.534907
H 5.613166 -1.009846 3.036501
H -5.613882 1.008908 3.036437
H 6.660218 1.675877 -0.231601
H -6.658932 -1.678184 -0.231181


