%chk=000250060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250060

0 1
Br -4.365064 1.548414 0.835325
O -0.399844 2.097006 0.509129
O -6.649979 -0.719793 0.877771
N -0.735921 -0.714381 0.092555
N -1.915665 -0.094199 0.329838
N -5.293640 -2.506647 0.497188
N -4.112240 -3.095774 0.277020
C 0.391283 -0.052599 -0.015904
C 1.594870 -0.895176 -0.232350
C 1.831845 2.088003 -0.270897
C 0.546582 1.441376 0.102868
C 2.644317 -0.854123 0.699350
C 1.676512 -1.736323 -1.352481
C 2.525136 1.728699 -1.435575
C 2.320345 3.118663 0.548978
C 3.776274 -1.647781 0.499704
C 2.813790 -2.525924 -1.543083
C -3.060505 -0.905819 0.389727
C 3.863695 -2.481673 -0.620465
C 3.710779 2.388691 -1.768804
C 3.511585 3.767095 0.216462
C 4.206635 3.402322 -0.941803
C -4.282334 -0.309177 0.616303
C -3.021424 -2.354226 0.219667
C -5.510394 -1.076603 0.689161
H 2.576783 -0.207981 1.573242
H 0.852378 -1.780038 -2.063492
H 2.141668 0.938767 -2.083441
H 1.761099 3.412598 1.439778
H 4.592228 -1.618062 1.220977
H 2.878930 -3.180624 -2.411338
H -1.977102 0.944083 0.495016
H 4.747984 -3.098894 -0.771510
H 4.249616 2.111280 -2.674027
H 3.894774 4.561615 0.855698
H 5.134667 3.911568 -1.202268
H -2.062215 -2.863223 0.041393
H -6.104747 -3.143642 0.530690


%chk=000250060-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250060

0 1
Br -4.214454 1.610505 1.386527
O -0.286738 1.850767 0.976633
O -6.620270 -0.438473 0.915993
N -0.626772 -0.856895 0.110947
N -1.762697 -0.189739 0.457921
N -5.339294 -2.230239 0.137866
N -4.197676 -2.895986 -0.220947
C 0.558627 -0.217888 0.096572
C 1.731684 -1.097378 -0.176878
C 1.831564 2.067228 -0.123794
C 0.681226 1.248326 0.367439
C 2.953268 -0.920462 0.528518
C 1.624654 -2.169418 -1.103941
C 2.588278 1.730268 -1.280255
C 2.101379 3.290967 0.550488
C 4.043190 -1.787470 0.300753
C 2.716435 -3.032263 -1.332890
C -2.992376 -0.841555 0.368654
C 3.932204 -2.843575 -0.633284
C 3.599821 2.598193 -1.741724
C 3.127242 4.143779 0.100045
C 3.880230 3.799421 -1.048899
C -4.186651 -0.207419 0.730468
C -3.057341 -2.212946 -0.107144
C -5.476499 -0.892081 0.629211
H 3.047913 -0.114956 1.264437
H 0.680552 -2.314754 -1.638917
H 2.379029 0.807043 -1.827952
H 1.488982 3.554390 1.418971
H 4.975915 -1.641844 0.856448
H 2.620940 -3.849761 -2.056030
H -1.662571 0.786557 0.826746
H 4.780528 -3.513615 -0.810958
H 4.168666 2.337930 -2.640663
H 3.336370 5.076755 0.634142
H 4.674005 4.465436 -1.405165
H -2.140613 -2.734095 -0.382473
H -6.206050 -2.767257 0.043536


