%chk=000196641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196641

0 1
Br 8.184979 -1.884280 -0.250150
O 0.551742 1.796809 -2.329138
O 2.225645 0.999158 1.783467
N -1.426356 2.231106 -1.286755
N -0.608669 -0.480852 -0.185991
N 1.641018 0.313104 -0.312451
C 0.239259 0.727494 -0.149330
C -2.350003 2.102115 -0.198277
C -2.590849 0.860626 0.432749
C -1.878142 -0.390158 0.058713
C -0.152526 1.622883 -1.357675
C -2.692796 -1.635524 -0.016370
C -3.054953 3.250418 0.228458
C -3.528957 0.799163 1.480677
C -1.798668 3.149394 -2.398288
C -3.977081 3.161981 1.265773
C -4.217152 1.933944 1.897780
C -3.909993 -1.627298 -0.716058
C -2.240195 -2.813459 0.596116
C 2.540884 0.430690 0.751941
C 3.898944 -0.142626 0.482766
C -4.671779 -2.795019 -0.794660
C -3.011719 -3.976574 0.517419
C -4.225635 -3.968599 -0.176167
C 5.019127 0.687421 0.624150
C 4.050259 -1.491598 0.136652
C 6.299790 0.171525 0.403617
C 5.328493 -2.014815 -0.080200
C 6.435945 -1.173621 0.053007
H 0.141881 1.307728 0.823130
H -2.865798 4.214531 -0.242531
H -3.714351 -0.160375 1.971709
H 1.872462 -0.176271 -1.176564
H -1.567926 4.197102 -2.145223
H -2.868668 3.054110 -2.639600
H -1.216293 2.889157 -3.306522
H -4.512213 4.054639 1.593381
H -4.936310 1.871050 2.712893
H -4.255539 -0.713715 -1.199375
H -1.284087 -2.819892 1.122302
H -5.614022 -2.792197 -1.340514
H -2.661755 -4.891314 0.993897
H -4.823325 -4.876898 -0.238365
H 4.890352 1.733433 0.912883
H 3.176026 -2.139197 0.044384
H 7.174286 0.815724 0.509508
H 5.451068 -3.065421 -0.348171


%chk=000196641-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196641

0 1
Br 8.405531 -1.452550 0.050120
O 0.557314 1.539788 -2.618599
O 1.873082 0.277253 1.867254
N -1.452309 2.097171 -1.559268
N -0.660158 -0.537506 -0.314284
N 1.594035 0.351308 -0.436110
C 0.187417 0.684504 -0.341443
C -2.291484 2.109464 -0.392560
C -2.543979 0.927317 0.378531
C -1.922545 -0.393396 0.044030
C -0.198827 1.482178 -1.604473
C -2.750528 -1.637165 0.130158
C -2.941533 3.324493 -0.046512
C -3.412705 1.026937 1.501606
C -1.850247 2.898176 -2.743151
C -3.798902 3.393240 1.066592
C -4.028094 2.241214 1.855973
C -4.157996 -1.613638 -0.067234
C -2.109595 -2.883251 0.370370
C 2.355834 0.134784 0.697536
C 3.795202 -0.257165 0.479865
C -4.907221 -2.809690 -0.022111
C -2.860134 -4.074516 0.421923
C -4.262514 -4.043061 0.226267
C 4.674871 -0.141144 1.585401
C 4.298045 -0.752230 -0.750783
C 6.036024 -0.488633 1.469488
C 5.657836 -1.109435 -0.883263
C 6.511979 -0.965831 0.229513
H 0.028391 1.295541 0.572563
H -2.753099 4.223635 -0.640906
H -3.591800 0.129135 2.101546
H 1.987439 0.358155 -1.381551
H -1.543172 3.955932 -2.645404
H -2.942116 2.840851 -2.874342
H -1.338484 2.478156 -3.622413
H -4.275631 4.344720 1.325214
H -4.679393 2.291463 2.734211
H -4.664473 -0.665053 -0.275237
H -1.024321 -2.889039 0.510080
H -5.990189 -2.779894 -0.185509
H -2.356095 -5.027600 0.616404
H -4.845060 -4.970345 0.266248
H 4.265509 0.219413 2.534506
H 3.639826 -0.899196 -1.614254
H 6.710744 -0.391678 2.324502
H 6.039923 -1.497210 -1.831499


