%chk=000216086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216086

0 1
Br -6.924329 -0.629872 -0.675008
S 0.224538 2.638037 0.273700
O 1.558846 -1.625193 1.413353
N 3.672832 -0.453432 -0.158804
C 4.291200 0.872001 0.179658
C 4.431049 -1.138945 -1.258128
C 5.742508 0.665056 0.642898
C 5.885664 -1.373308 -0.817379
C 6.566689 -0.054550 -0.431656
C 2.229655 -0.292939 -0.524724
C 1.410182 -0.335627 0.788639
C -0.067505 -0.175803 0.510238
C -0.617468 1.111165 0.273983
C -0.916651 -1.255522 0.482004
C -1.973963 1.314083 0.007627
C -2.319328 -1.099862 0.215190
C -2.864505 0.189926 -0.029871
C -2.300454 2.715424 -0.198283
C -3.186078 -2.235404 0.191020
C -4.259267 0.324209 -0.298430
C -1.232594 3.541397 -0.088784
C -4.529243 -2.093318 -0.068418
C -5.052400 -0.797069 -0.313831
H 3.698866 1.326229 1.003530
H 4.263407 1.586071 -0.671621
H 4.411777 -0.568249 -2.211274
H 3.940312 -2.117724 -1.451728
H 5.749707 0.070212 1.578345
H 6.196176 1.641787 0.890650
H 6.442847 -1.874558 -1.629519
H 5.901288 -2.066620 0.047472
H 6.679911 0.591681 -1.322510
H 7.590188 -0.248457 -0.060854
H 2.007019 0.633499 -1.093421
H 1.902479 -1.138474 -1.169678
H 1.767960 0.422254 1.525734
H -0.521270 -2.257971 0.680142
H 2.517452 -1.874316 1.409653
H -3.313077 3.032363 -0.415390
H -2.762183 -3.221875 0.384887
H -4.669638 1.317312 -0.486046
H -1.196569 4.612674 -0.192271
H -5.192229 -2.959395 -0.086496


%chk=000216086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216086

0 1
Br -6.961177 -1.040960 -0.628753
S 0.057599 2.912141 0.105255
O 1.799779 -1.235861 1.431394
N 3.659986 -0.337268 -0.237994
C 4.474989 0.738530 0.399568
C 4.358018 -0.947949 -1.404517
C 5.845414 0.202476 0.857436
C 5.724294 -1.528870 -0.988130
C 6.603969 -0.445006 -0.322684
C 2.270741 0.100586 -0.542302
C 1.429706 0.011594 0.778110
C -0.064615 0.051077 0.507070
C -0.727178 1.276029 0.186559
C -0.842088 -1.105675 0.557196
C -2.116743 1.359761 -0.089950
C -2.252351 -1.088062 0.282027
C -2.913893 0.155107 -0.051941
C -2.550153 2.714965 -0.370038
C -3.031291 -2.288496 0.337790
C -4.319436 0.151961 -0.320612
C -1.537798 3.647211 -0.308859
C -4.404093 -2.282542 0.073782
C -5.029664 -1.046337 -0.255907
H 3.914752 1.134645 1.265573
H 4.623059 1.584260 -0.317513
H 4.511504 -0.190896 -2.213734
H 3.709431 -1.744495 -1.813027
H 5.689624 -0.548167 1.656600
H 6.433220 1.032812 1.292823
H 6.227203 -1.949543 -1.879646
H 5.558551 -2.360278 -0.275378
H 6.855339 0.334988 -1.071042
H 7.559802 -0.881033 0.022889
H 2.221718 1.122356 -0.978755
H 1.839587 -0.609973 -1.270457
H 1.691759 0.875100 1.433032
H -0.346056 -2.040461 0.836749
H 2.747756 -1.379340 1.097837
H -3.580699 2.990267 -0.605187
H -2.533809 -3.230283 0.595473
H -4.833312 1.083044 -0.574259
H -1.587511 4.722557 -0.470856
H -4.992131 -3.203078 0.118978


