%chk=000297058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297058

0 1
Br -0.526342 -1.707429 3.099346
O -3.491329 1.377423 -1.951290
O 5.250945 -2.186180 -0.964631
N -0.697491 3.382478 0.535944
N 3.922038 -0.344476 -0.821897
N -4.329937 0.073483 -0.278254
C 0.388544 2.386766 0.781178
C -0.127115 0.990802 1.271528
C 2.513130 1.499981 -0.124153
C 1.254957 2.278411 -0.504734
C -1.253887 0.468558 0.353281
C 2.115995 0.198719 0.523133
C 0.978245 -0.040313 1.278172
C -2.376170 1.505975 0.203968
C -1.795637 2.844687 -0.308751
C 3.482631 1.037659 -1.248693
C 3.036835 -0.827837 0.191601
C 0.909402 -1.306290 1.899073
C -1.210744 3.965075 1.811607
C -3.414574 0.993254 -0.795166
C 2.940344 -2.082050 0.787633
C 1.873248 -2.292601 1.677098
C 4.995983 -1.071456 -1.379480
C 5.762679 -0.388313 -2.472440
C -5.318483 -0.591642 -1.162600
C -4.976745 -2.067780 -1.411097
C -5.272060 -2.960349 -0.198898
C -4.960980 -4.426165 -0.491815
H 1.041605 2.802094 1.596270
H -0.528107 1.124022 2.306635
H 3.100754 2.105732 0.614814
H 1.495658 3.289761 -0.881525
H 0.694997 1.775140 -1.313940
H -0.833873 0.222339 -0.644581
H -1.658055 -0.481865 0.750954
H -2.859122 1.680516 1.195800
H -1.398625 2.710046 -1.342688
H -2.600969 3.604826 -0.396737
H 2.978490 0.980988 -2.234404
H 4.355753 1.709405 -1.338250
H -1.953735 4.744686 1.575329
H -0.381492 4.464962 2.338018
H -1.675123 3.244062 2.499264
H 3.663704 -2.870106 0.564547
H 1.796462 -3.259652 2.180793
H -4.195804 -0.346955 0.634493
H 5.127350 -0.106029 -3.322398
H 6.538759 -1.069814 -2.862743
H 6.280309 0.513471 -2.118393
H -6.324706 -0.488630 -0.699426
H -5.353333 -0.042398 -2.136853
H -3.912809 -2.165936 -1.705688
H -5.553918 -2.425381 -2.287395
H -6.335030 -2.856355 0.095895
H -4.680076 -2.624645 0.674419
H -3.905997 -4.571793 -0.752642
H -5.172063 -5.058127 0.378419
H -5.559189 -4.808856 -1.326749


%chk=000297058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297058

0 1
Br 0.001847 -2.171075 2.944168
O -2.799403 0.287205 -2.221265
O 6.121712 -1.535877 -0.803416
N -0.813162 2.981649 0.599975
N 4.403147 0.032379 -0.775070
N -4.451334 0.040199 -0.594880
C 0.411389 2.150596 0.737964
C 0.080640 0.670768 1.161702
C 2.648011 1.567666 -0.199020
C 1.297196 2.217782 -0.544122
C -0.975592 0.053361 0.191629
C 2.446977 0.204555 0.437102
C 1.327736 -0.207054 1.177343
C -2.244603 0.940261 0.074156
C -1.815345 2.396188 -0.314447
C 3.680727 1.243072 -1.312512
C 3.555014 -0.627816 0.170912
C 1.450562 -1.486417 1.785138
C -1.366074 3.461981 1.883688
C -3.174896 0.389275 -1.009710
C 3.659523 -1.897745 0.773795
C 2.588192 -2.303605 1.611509
C 5.618089 -0.460861 -1.253948
C 6.306068 0.367554 -2.334603
C -5.462652 -0.508123 -1.516764
C -5.655776 -2.037156 -1.382252
C -6.200059 -2.486504 -0.006971
C -6.427593 -4.011757 0.072018
H 1.006320 2.608035 1.555623
H -0.364749 0.692404 2.177232
H 3.155956 2.216117 0.548791
H 1.408709 3.279629 -0.826695
H 0.822148 1.688747 -1.391197
H -0.541313 -0.067382 -0.818717
H -1.249758 -0.957770 0.543345
H -2.765992 0.960886 1.054397
H -1.406056 2.357605 -1.340446
H -2.697398 3.062424 -0.339630
H 3.173084 0.980155 -2.263322
H 4.385847 2.067768 -1.498783
H -2.197192 4.160952 1.678939
H -0.584966 4.018757 2.432297
H -1.753564 2.665171 2.564692
H 4.524626 -2.537861 0.598781
H 2.636205 -3.275920 2.110199
H -4.678956 0.115590 0.397516
H 5.634022 0.583124 -3.185055
H 7.173393 -0.203841 -2.695838
H 6.662919 1.334047 -1.932145
H -6.425574 0.011726 -1.341877
H -5.114704 -0.260809 -2.534745
H -4.689884 -2.538786 -1.586737
H -6.359168 -2.363683 -2.175484
H -7.154223 -1.958234 0.200273
H -5.489740 -2.186062 0.790770
H -5.482979 -4.561176 -0.098127
H -6.820591 -4.312242 1.060471
H -7.151467 -4.343975 -0.695748


