%chk=000218745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218745

0 1
Br -4.514878 -2.174564 1.535318
S 6.468010 -1.524220 0.412758
S 7.502964 -0.083933 -0.628181
O -3.769570 0.536030 0.402766
O 6.394382 0.131044 -1.870919
O 7.521501 1.128391 0.114826
O 8.652544 -0.660877 -1.239954
N 2.874689 0.340533 0.804651
N -5.637043 0.990837 -0.952015
C 0.539173 1.140982 0.717493
C -0.795056 1.077463 -0.034243
C 1.611753 0.303066 0.002805
C -1.879487 1.888203 0.685984
C -3.216404 1.836044 -0.041102
C 3.990004 -0.385009 0.119555
C 5.100204 -0.574132 1.151265
C -4.974089 0.166504 -0.086843
C -5.490013 -1.087160 0.340020
C -6.730399 -1.483703 -0.150104
C -6.847180 0.573940 -1.413446
C -7.422326 -0.646635 -1.038343
H 0.412820 0.767685 1.755192
H 0.872350 2.191679 0.815785
H -0.667392 1.447657 -1.069543
H -1.132511 0.023557 -0.125437
H 1.280045 -0.758059 -0.060811
H 1.747555 0.660280 -1.040896
H -1.565467 2.944298 0.800617
H -2.014311 1.495213 1.718788
H 3.151640 1.315692 0.969445
H -3.918292 2.625537 0.276206
H -3.137125 1.819591 -1.140365
H 4.368970 0.144846 -0.786923
H 3.616051 -1.374671 -0.230869
H 5.463600 0.391023 1.561944
H 4.734686 -1.160139 2.024122
H -7.165559 -2.439717 0.152253
H -7.351655 1.260183 -2.105507
H -8.391819 -0.943777 -1.428574
H 6.741435 0.143318 -2.778620


%chk=000218745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218745

0 1
Br -4.338414 -2.563196 0.855257
S 6.397483 -1.709293 0.622396
S 7.876616 -0.045141 -0.488391
O -3.811782 0.463234 0.360003
O 7.507154 -0.554313 -2.243427
O 7.205809 1.415063 -0.240858
O 9.469997 -0.216069 -0.265105
N 2.843102 0.390734 0.510095
N -5.868582 1.087293 -0.628191
C 0.484080 1.184468 0.630893
C -0.931264 1.078570 0.022015
C 1.493936 0.252968 -0.067406
C -1.959151 1.966537 0.757349
C -3.371159 1.877382 0.177473
C 3.888218 -0.532615 0.054247
C 5.071070 -0.461894 1.038250
C -5.075401 0.134227 -0.077652
C -5.512352 -1.215283 0.067524
C -6.800864 -1.563557 -0.366895
C -7.119949 0.742511 -1.050054
C -7.631016 -0.564783 -0.940198
H 0.453640 0.930953 1.708279
H 0.839615 2.234908 0.559501
H -0.898141 1.363989 -1.050225
H -1.277762 0.028316 0.061251
H 1.175477 -0.800786 0.058564
H 1.487881 0.456923 -1.166806
H -1.644348 3.029357 0.709437
H -1.993229 1.688919 1.828745
H 3.158199 1.365279 0.599043
H -4.085243 2.538892 0.700051
H -3.402522 2.118064 -0.901679
H 4.260934 -0.328681 -0.976564
H 3.464812 -1.555225 0.047220
H 5.549468 0.539958 0.998531
H 4.753357 -0.648447 2.080875
H -7.153733 -2.593657 -0.262487
H -7.715906 1.551250 -1.486093
H -8.639241 -0.805194 -1.287808
H 8.273009 -0.234660 -2.808063


