%chk=000189880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189880

0 1
Br 6.133705 -0.732886 0.159403
N -2.143672 -1.602130 -0.331635
N -3.908235 -2.614231 0.661896
C -0.069396 -0.351610 0.270042
C -0.762859 -1.305828 -0.739815
C 1.440526 -0.452175 0.203501
C -0.538462 1.074397 0.054909
C 2.176130 -0.245574 1.383333
C 2.122102 -0.731487 -0.990116
C 0.010922 1.881955 -0.950827
C -1.560393 1.584956 0.870731
C -3.269063 -0.803030 -0.585197
C -2.576950 -2.696523 0.445939
C 3.570250 -0.325521 1.375796
C 3.518057 -0.816917 -1.007449
C -0.453750 3.187472 -1.134107
C -2.022573 2.890023 0.682751
C 4.227458 -0.614619 0.177174
C -1.470352 3.694410 -0.319124
C -4.344257 -1.448171 0.029398
H -0.384335 -0.677159 1.302416
H -0.768401 -0.853488 -1.758852
H -0.193801 -2.262464 -0.811164
H 1.659905 -0.012836 2.315519
H 1.576681 -0.879392 -1.920979
H 0.809089 1.502462 -1.586679
H -2.004130 0.963372 1.648432
H -3.228135 0.111179 -1.144973
H -1.924589 -3.480437 0.793356
H 4.132588 -0.162524 2.296963
H 4.039156 -1.037708 -1.940490
H -0.019392 3.811753 -1.913823
H -2.815665 3.280318 1.319557
H -1.829785 4.711657 -0.462761
H -5.379176 -1.156145 0.053073


%chk=000189880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189880

0 1
Br 6.294712 -0.633564 -0.009395
N -2.175597 -1.547659 -0.381386
N -4.066782 -2.311673 0.620255
C -0.024365 -0.421039 0.319546
C -0.745687 -1.384103 -0.678318
C 1.501855 -0.506160 0.203427
C -0.543833 1.017876 0.170019
C 2.294817 -0.080389 1.300836
C 2.167679 -0.968948 -0.959319
C -0.044824 1.877013 -0.842952
C -1.572529 1.492470 1.021225
C -3.240762 -0.808019 -0.915593
C -2.726811 -2.436968 0.543492
C 3.704213 -0.112887 1.251097
C 3.579932 -1.010893 -1.030523
C -0.567726 3.179181 -1.003339
C -2.094978 2.796339 0.865597
C 4.333142 -0.580181 0.077744
C -1.595396 3.644090 -0.148979
C -4.392776 -1.292432 -0.291878
H -0.302718 -0.767370 1.335067
H -0.649111 -1.008044 -1.711884
H -0.268746 -2.380751 -0.632577
H 1.804135 0.289648 2.208896
H 1.600364 -1.310491 -1.831658
H 0.769834 1.536467 -1.493354
H -1.974022 0.835546 1.802430
H -3.084658 -0.025218 -1.653063
H -2.125864 -3.151574 1.102297
H 4.298638 0.217498 2.107686
H 4.078100 -1.373456 -1.934220
H -0.168717 3.833769 -1.786541
H -2.891332 3.146116 1.531733
H -1.997613 4.656012 -0.270329
H -5.423376 -0.979106 -0.439840


