%chk=000240388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240388

0 1
Br 0.111312 -3.572693 -0.856092
O -1.814654 1.122991 0.531427
O -6.593745 0.865417 1.912570
O -6.388667 -1.048145 0.779169
O 2.808721 2.715134 0.878515
N -1.200368 -1.032119 -0.005106
C -3.600422 -0.506452 0.225772
C -4.528262 0.594413 0.792854
C -4.012837 -0.903326 -1.204612
C -4.683647 1.786228 -0.171621
C -4.104828 0.309044 -2.137324
C -5.084819 1.351151 -1.583742
C -2.150946 -0.011983 0.266722
C -5.887477 0.002799 1.104738
C 0.207467 -0.851783 -0.040571
C 2.209305 0.439428 0.233063
C 3.005434 -0.687914 -0.146340
C 0.838750 0.382695 0.291799
C 4.427885 -0.296842 -0.107468
C 1.000775 -1.949875 -0.414125
C 4.509584 1.072914 0.296028
C 2.403470 -1.888758 -0.471861
C 3.126867 1.610032 0.531627
C 5.574836 -1.017626 -0.384647
C 5.728729 1.708249 0.418821
C 6.819703 -0.362928 -0.257524
C 6.898360 0.969612 0.135044
H -3.690203 -1.411432 0.883885
H -4.089030 0.986454 1.752522
H -5.006092 -1.406410 -1.147883
H -3.319346 -1.655316 -1.622146
H -3.710556 2.327878 -0.204413
H -5.420067 2.504779 0.239056
H -4.427815 -0.017091 -3.144453
H -3.104432 0.766278 -2.270996
H -5.114635 2.234120 -2.251024
H -6.112668 0.938351 -1.580439
H -1.561473 -1.969452 -0.230104
H 0.242238 1.260071 0.584029
H -7.500926 0.525776 2.138180
H 2.988452 -2.761000 -0.764449
H 5.531498 -2.059169 -0.692382
H 5.789117 2.753018 0.726765
H 7.732432 -0.920141 -0.473182
H 7.868878 1.455621 0.226916


%chk=000240388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240388

0 1
Br 0.029328 -3.318531 -1.464703
O -1.842663 1.184468 0.984475
O -6.847296 1.237817 1.450409
O -6.191489 -0.980111 1.487000
O 2.954753 2.579868 1.417865
N -1.229376 -0.806168 -0.086856
C -3.629554 -0.409689 0.371197
C -4.581159 0.761276 0.738285
C -4.045243 -1.058301 -0.983704
C -4.735547 1.784966 -0.426010
C -4.144523 -0.022826 -2.127494
C -5.133692 1.107174 -1.756562
C -2.167281 0.086869 0.441301
C -5.911307 0.216528 1.236868
C 0.178752 -0.697364 -0.115715
C 2.280510 0.438172 0.350498
C 3.030941 -0.620840 -0.238515
C 0.885089 0.423987 0.422711
C 4.476896 -0.293546 -0.149309
C 0.947856 -1.748328 -0.703999
C 4.608532 0.973088 0.497590
C 2.358142 -1.730537 -0.774191
C 3.239479 1.495313 0.842681
C 5.620772 -0.992080 -0.572584
C 5.864312 1.554000 0.728972
C 6.894696 -0.406951 -0.340044
C 7.019719 0.849436 0.301979
H -3.730100 -1.189007 1.156557
H -4.133788 1.313435 1.590547
H -5.032326 -1.533311 -0.826805
H -3.364861 -1.885759 -1.269387
H -3.761897 2.295998 -0.544228
H -5.476999 2.549911 -0.139543
H -4.468806 -0.526932 -3.057640
H -3.144820 0.413514 -2.330789
H -5.166676 1.865341 -2.561672
H -6.157079 0.686178 -1.673494
H -1.607062 -1.659795 -0.510016
H 0.322512 1.241871 0.877713
H -7.681957 0.838425 1.818102
H 2.892392 -2.565265 -1.235893
H 5.545937 -1.964947 -1.070685
H 5.938876 2.526151 1.227262
H 7.797351 -0.937452 -0.663203
H 8.014553 1.275954 0.468025


