%chk=000257137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257137

0 1
Br -5.445395 -3.103609 -0.132436
O -2.811507 -0.024259 2.146276
O -1.280881 -0.296729 -2.398209
N -0.631967 -0.002020 1.606744
N 0.175153 -0.087615 -0.665048
N 1.702412 0.079375 1.171514
C -2.355609 -0.095310 -0.250075
C -3.191300 -1.369653 -0.525203
C -3.126994 1.198404 -0.604130
C -2.015298 -0.042413 1.234374
C -1.126047 -0.172321 -1.209172
C -4.528845 -1.393213 0.194884
C -2.290154 2.459488 -0.429194
C 0.420529 -0.005293 0.631728
C 2.952991 0.098682 0.453875
C 4.104207 0.263776 1.255690
C 3.063470 -0.039843 -0.935406
C 5.358959 0.287898 0.648212
C 4.332958 -0.011840 -1.521039
C 5.479288 0.150768 -0.739518
H -2.590067 -2.265037 -0.254677
H -3.349523 -1.451195 -1.628273
H -4.042012 1.265584 0.020306
H -3.475008 1.120728 -1.657759
H -5.210775 -0.599459 -0.155644
H -4.421089 -1.291050 1.294502
H -1.959689 2.603682 0.605431
H -1.397636 2.459203 -1.069878
H -2.870970 3.350328 -0.704751
H -0.431398 0.031140 2.612452
H 1.786146 0.143330 2.190370
H 4.028860 0.372710 2.334447
H 2.179266 -0.168470 -1.573029
H 6.251260 0.414932 1.261289
H 4.420798 -0.119470 -2.603395
H 6.461869 0.170771 -1.206459


%chk=000257137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257137

0 1
Br -4.345981 -3.659462 0.098293
O -2.803763 0.630515 2.138398
O -1.309800 0.647386 -2.445726
N -0.593077 0.341570 1.545877
N 0.206866 0.263034 -0.732423
N 1.686349 0.032030 1.106300
C -2.318965 0.245264 -0.256632
C -2.744055 -1.273841 -0.450718
C -3.474172 1.210418 -0.652674
C -1.959935 0.437758 1.221462
C -1.101240 0.429967 -1.222790
C -4.015008 -1.662458 0.311410
C -3.087348 2.702785 -0.586663
C 0.427477 0.209756 0.571581
C 2.952818 -0.073188 0.448499
C 4.086338 -0.226409 1.292401
C 3.115724 -0.031535 -0.960246
C 5.374964 -0.336318 0.734137
C 4.415156 -0.140310 -1.501210
C 5.547441 -0.293034 -0.669225
H -1.911355 -1.932817 -0.139508
H -2.894737 -1.426209 -1.535063
H -4.329557 1.029251 0.022271
H -3.779998 0.950817 -1.681983
H -4.922741 -1.193604 -0.092156
H -3.947431 -1.497893 1.395727
H -2.791133 2.998404 0.436928
H -2.259930 2.933689 -1.280134
H -3.948832 3.331389 -0.874246
H -0.374965 0.442259 2.543191
H 1.742370 -0.042798 2.125075
H 3.962042 -0.258192 2.383555
H 2.235743 0.083311 -1.595083
H 6.241022 -0.454417 1.394027
H 4.537268 -0.106796 -2.589276
H 6.548448 -0.378323 -1.104577


