%chk=000181845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181845

0 1
Br 6.738094 -1.856695 -0.401392
O 1.657952 1.147254 0.865888
O -2.819814 0.244714 -1.976623
N -2.837016 1.160572 0.159890
N -2.242160 -1.170513 -0.267007
N -2.094871 -3.071642 0.965120
C -3.370158 2.483198 -0.354764
C -2.029326 1.250295 1.408429
C -0.581889 1.701008 1.175831
C -4.739161 2.260556 -0.996191
C -2.388043 3.145821 -1.321801
C -2.634537 0.138941 -0.781112
C 0.326416 0.557061 0.733938
C -1.450759 -2.091887 -1.002578
C -2.626979 -1.844106 0.930347
C 2.744996 0.368006 0.551033
C -1.361675 -3.235632 -0.225334
C 2.694039 -0.969728 0.138583
C 3.968767 1.060020 0.687685
C 3.895738 -1.629268 -0.143789
C 5.152693 0.390729 0.402949
C 5.106093 -0.948952 -0.011569
H -3.495064 3.134369 0.553008
H -2.054400 0.281193 1.953834
H -2.540906 1.978870 2.082779
H -0.539217 2.526719 0.427782
H -0.170294 2.145371 2.109091
H -5.203930 3.214740 -1.268988
H -4.666874 1.663282 -1.919807
H -5.427048 1.733597 -0.324897
H -1.391869 3.272388 -0.874736
H -2.743548 4.133892 -1.634361
H -2.261309 2.547844 -2.239052
H 0.175624 0.266715 -0.319579
H 0.261911 -0.325445 1.394711
H -1.061335 -1.857092 -1.977489
H -3.277393 -1.397470 1.668155
H -0.840525 -4.157045 -0.424825
H 1.754286 -1.504511 0.038885
H 3.963854 2.098637 1.011895
H 3.873946 -2.672978 -0.464820
H 6.109590 0.907670 0.502278


%chk=000181845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181845

0 1
Br 6.921714 -1.078463 -1.127177
O 1.685623 1.302351 1.125169
O -2.755613 -0.065464 -2.029673
N -2.601238 0.974521 0.068770
N -2.668625 -1.426749 -0.117478
N -3.288620 -3.199256 1.164062
C -2.866592 2.343109 -0.512712
C -2.092354 0.944969 1.468706
C -0.657301 1.505428 1.620373
C -4.294916 2.428555 -1.095938
C -1.793199 2.784750 -1.536278
C -2.671808 -0.121161 -0.770953
C 0.389316 0.635427 0.918962
C -2.016109 -2.557112 -0.645907
C -3.440764 -1.880773 0.970672
C 2.827666 0.693419 0.580776
C -2.390851 -3.626229 0.162513
C 2.821442 -0.528387 -0.136718
C 4.044703 1.387945 0.792485
C 4.035822 -1.050437 -0.641049
C 5.253257 0.868364 0.290354
C 5.236932 -0.350295 -0.424414
H -2.813918 3.022848 0.360089
H -2.114266 -0.088505 1.846270
H -2.780687 1.538922 2.099023
H -0.591051 2.538830 1.235085
H -0.419059 1.551860 2.699835
H -4.504087 3.468556 -1.404659
H -4.398793 1.777806 -1.979176
H -5.049165 2.134042 -0.344314
H -0.777577 2.755208 -1.103235
H -1.995872 3.824033 -1.853373
H -1.818936 2.133829 -2.424108
H 0.183337 0.552178 -0.167944
H 0.414990 -0.384561 1.356160
H -1.396222 -2.486229 -1.534698
H -4.107607 -1.232384 1.533339
H -2.085157 -4.667026 0.091312
H 1.895988 -1.084309 -0.311473
H 4.027260 2.328999 1.349901
H 4.034413 -1.993397 -1.195166
H 6.191823 1.405286 0.453985


