%chk=000191046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191046

0 1
Br 0.974840 -3.402274 -0.014254
O 5.763592 0.435458 0.465851
O -3.131419 3.845192 -0.332483
C 0.256850 -0.643693 0.001381
C 1.704550 -0.347383 0.090110
C -0.626446 0.543276 -0.055479
C -0.225157 -1.899020 -0.032268
C -1.637127 -2.299662 -0.081890
C 2.447236 -0.760172 1.215436
C -1.605372 0.662949 -1.063354
C 2.337183 0.351447 -0.945383
C -0.476319 1.567298 0.890509
C 3.802635 -0.475630 1.305637
C -2.421776 1.783854 -1.124844
C 3.703662 0.642570 -0.880443
C -1.292193 2.701426 0.854446
C 4.420620 0.224268 0.246281
C -2.256845 2.797142 -0.155986
C -2.121141 -3.045267 -1.170336
C -2.503587 -1.947514 0.966278
C -3.464613 -3.422909 -1.211484
C -3.845596 -2.333228 0.918290
C -4.328089 -3.068341 -0.169006
C 6.517658 1.125143 -0.559813
C -3.061602 4.951329 0.599416
H 1.952128 -1.307720 2.019485
H -1.722054 -0.134898 -1.799787
H 1.760268 0.671550 -1.814331
H 0.287368 1.480130 1.665743
H 4.397306 -0.783615 2.162402
H -3.182638 1.896637 -1.893883
H 4.180581 1.178546 -1.693062
H -1.166204 3.481290 1.597080
H -1.444900 -3.332776 -1.975294
H -2.127185 -1.371625 1.810586
H -3.839799 -3.998793 -2.055948
H -4.516562 -2.059290 1.730892
H -5.374130 -3.366606 -0.203601
H 6.135291 2.140792 -0.694473
H 6.500688 0.554371 -1.492713
H 7.526005 1.138429 -0.125664
H -3.289548 4.609582 1.612984
H -3.851807 5.613001 0.220652
H -2.083151 5.436435 0.541118


%chk=000191046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191046

0 1
Br 0.937274 -3.513348 -0.713970
O 5.845054 0.386555 0.596525
O -3.150819 3.918897 -0.414238
C 0.260268 -0.707177 -0.182168
C 1.720628 -0.430862 -0.017538
C -0.635386 0.496679 -0.216861
C -0.274594 -1.970162 -0.320944
C -1.694929 -2.378639 -0.184293
C 2.495570 -1.098399 0.974018
C -1.692899 0.620394 -1.164860
C 2.361885 0.555699 -0.808668
C -0.415925 1.579577 0.674507
C 3.855784 -0.802377 1.155267
C -2.504133 1.764462 -1.206153
C 3.732315 0.855909 -0.650973
C -1.228791 2.733328 0.653574
C 4.483525 0.171622 0.337170
C -2.281983 2.825349 -0.290698
C -2.321220 -3.266191 -1.102541
C -2.456833 -1.892681 0.917474
C -3.672586 -3.635440 -0.940110
C -3.806452 -2.266340 1.080006
C -4.423315 -3.136787 0.150664
C 6.544799 1.373028 -0.229856
C -2.960138 5.044057 0.504692
H 2.020458 -1.851358 1.610748
H -1.867572 -0.187563 -1.882191
H 1.780737 1.092076 -1.566929
H 0.402328 1.517164 1.400143
H 4.452460 -1.308009 1.920430
H -3.310974 1.864056 -1.938407
H 4.194156 1.612235 -1.292639
H -1.032009 3.541406 1.364440
H -1.741443 -3.667737 -1.940497
H -1.980345 -1.224082 1.641601
H -4.139132 -4.315370 -1.661693
H -4.374657 -1.884749 1.935686
H -5.471112 -3.430066 0.279908
H 6.108742 2.383659 -0.106994
H 6.525284 1.087922 -1.299674
H 7.581999 1.370108 0.135962
H -3.093278 4.730474 1.558364
H -3.739155 5.771264 0.232950
H -1.960386 5.503116 0.377562


