%chk=000262306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262306

0 1
Br -8.399203 0.066896 -0.139333
S 2.943456 -0.990777 0.572480
O 1.921181 0.250379 -0.039055
O 2.647068 -2.169032 -0.197309
O 2.761535 -0.976842 1.994821
C -2.224994 0.116691 -0.065254
C -3.702390 0.104697 -0.083537
C 0.551877 0.135039 -0.020307
C -1.533199 1.323738 0.140997
C -1.507972 -1.076065 -0.253925
C 4.438051 -0.289853 0.112729
C -0.141196 1.343154 0.170032
C -0.112753 -1.078373 -0.239450
C -4.403833 0.912415 -0.994094
C -4.412084 -0.714670 0.810144
C 5.109043 0.564638 0.996428
C 4.982944 -0.571244 -1.146281
C -5.800858 0.903068 -1.014562
C -5.809130 -0.728041 0.797335
C 6.326845 1.137256 0.620709
C 6.200862 0.001839 -1.521130
C -6.486339 0.082070 -0.116656
C 6.870637 0.856492 -0.638045
H -2.090851 2.249046 0.289844
H -2.044469 -2.010943 -0.423342
H 0.414709 2.263416 0.333280
H 0.438972 -2.007676 -0.410888
H -3.855923 1.543780 -1.693382
H -3.870480 -1.337663 1.522331
H 4.685178 0.780913 1.984158
H 4.460660 -1.244225 -1.836299
H -6.341486 1.529507 -1.725074
H -6.356147 -1.363753 1.494806
H 6.851107 1.801751 1.307116
H 6.627031 -0.216307 -2.500104
H 7.821248 1.305483 -0.931984


%chk=000262306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262306

0 1
Br -8.602612 -0.300094 0.001060
S 2.961563 -0.381736 1.082924
O 1.872005 0.546255 -0.390339
O 2.604944 -1.970411 1.040482
O 2.859348 0.450239 2.477966
C -2.337684 0.183285 -0.187873
C -3.819086 0.070256 -0.142939
C 0.505753 0.403404 -0.283533
C -1.675134 1.343511 0.314525
C -1.538851 -0.867955 -0.729326
C 4.644992 -0.090220 0.303636
C -0.276340 1.451457 0.284711
C -0.139961 -0.769067 -0.776253
C -4.648557 1.223112 -0.238123
C -4.454970 -1.195465 -0.002222
C 5.351296 1.062564 0.683165
C 5.116698 -1.041559 -0.615315
C -6.054734 1.124388 -0.197688
C -5.859210 -1.313002 0.042543
C 6.622480 1.266622 0.098533
C 6.390203 -0.816574 -1.186693
C -6.647626 -0.147672 -0.057232
C 7.135444 0.333470 -0.833366
H -2.263398 2.147118 0.770604
H -2.025391 -1.756365 -1.145927
H 0.237353 2.329273 0.689062
H 0.473745 -1.571543 -1.196736
H -4.196208 2.210323 -0.380238
H -3.849353 -2.100876 0.110276
H 4.931856 1.759376 1.415434
H 4.522152 -1.927499 -0.858580
H -6.675328 2.020777 -0.284101
H -6.328603 -2.293251 0.163678
H 7.206501 2.151482 0.371279
H 6.795239 -1.537322 -1.904269
H 8.120569 0.500504 -1.281924


