%chk=000257001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257001

0 1
Br 4.992277 2.366826 1.617443
S -0.203110 1.510347 0.561114
O -0.380190 2.935533 0.351642
O 0.429435 1.065225 1.792518
N 0.773114 0.988164 -0.768619
C 1.819394 1.929663 -1.253511
C 3.180609 1.799288 -0.545266
C -1.681654 0.671040 0.328347
C 1.073821 -0.414144 -0.926710
C -1.931583 -0.522914 1.016682
C -2.650236 1.189251 -0.540351
C 3.164680 2.351386 0.868786
C 1.017164 -0.960241 -2.222718
C 1.386662 -1.230937 0.174065
C -4.107578 -0.686140 -0.044119
C -3.135917 -1.200209 0.833395
C -3.856835 0.516691 -0.728475
C 1.260337 -2.322522 -2.405130
C 1.621319 -2.592495 -0.026822
C 1.558848 -3.142028 -1.311286
C -5.402483 -1.401325 -0.232302
H 1.962826 1.749386 -2.344582
H 1.422218 2.970650 -1.158167
H 3.503442 0.735473 -0.535238
H 3.943090 2.327818 -1.157154
H -1.180403 -0.924826 1.707436
H -2.465011 2.131137 -1.069346
H 2.796741 3.390978 0.916870
H 2.551200 1.735246 1.561630
H 0.776855 -0.323495 -3.071887
H 1.465074 -0.806014 1.181443
H -3.323817 -2.127270 1.372141
H -4.606075 0.925952 -1.403713
H 1.215369 -2.748930 -3.406752
H 1.864270 -3.227132 0.825477
H 1.746583 -4.203020 -1.460408
H -5.307485 -2.488493 -0.100667
H -6.147833 -1.054066 0.501497
H -5.835317 -1.236953 -1.229165


%chk=000257001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257001

0 1
Br 5.075690 2.279455 1.721444
S -0.169981 1.427249 0.672428
O -0.338697 3.043636 0.535053
O 0.420352 0.789768 2.063064
N 0.832195 0.939965 -0.888040
C 1.845752 1.975723 -1.238881
C 3.238043 1.925762 -0.549431
C -1.807572 0.581444 0.320176
C 1.169816 -0.464338 -0.946277
C -2.088994 -0.617105 0.992537
C -2.697278 1.200961 -0.571887
C 3.208378 2.400078 0.907013
C 0.654612 -1.193690 -2.050083
C 1.965095 -1.129090 0.027883
C -4.272858 -0.652997 -0.156341
C -3.335476 -1.231597 0.739469
C -3.936980 0.567026 -0.803838
C 0.958292 -2.563808 -2.200875
C 2.246756 -2.505175 -0.119355
C 1.753800 -3.222919 -1.233946
C -5.622684 -1.305231 -0.392246
H 1.992982 1.866269 -2.331104
H 1.359341 2.955543 -1.070548
H 3.656144 0.905271 -0.613080
H 3.914650 2.582648 -1.128922
H -1.364295 -1.040509 1.695169
H -2.436404 2.148798 -1.052769
H 2.930908 3.460494 1.004538
H 2.579508 1.786398 1.571007
H 0.024354 -0.667076 -2.773992
H 2.335420 -0.583896 0.900878
H -3.582000 -2.170996 1.247142
H -4.653501 1.026837 -1.494084
H 0.567091 -3.116982 -3.061780
H 2.854350 -3.014877 0.636305
H 1.983111 -4.288436 -1.345607
H -5.573188 -2.399975 -0.261785
H -6.373375 -0.921886 0.325701
H -6.003557 -1.095842 -1.406836


