%chk=000257372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257372

0 1
Br 5.369771 -0.760841 0.853761
O -1.038727 -2.061629 0.306828
O 1.033090 2.179365 0.292714
O 0.495203 -1.451355 -1.234398
O -0.434736 1.544062 -1.301990
C -0.022827 0.070750 0.633278
C -1.288569 0.316906 1.491932
C 1.192473 -0.148924 1.567433
C -2.576651 0.463229 0.672301
C 2.525907 -0.298651 0.820080
C -0.141568 -1.183364 -0.244278
C 0.147702 1.297171 -0.274487
C -3.761579 0.846877 1.568570
C 3.640104 -0.647340 1.792768
C -5.050903 0.981827 0.761753
C -1.272394 -3.326816 -0.398766
C 1.330920 3.413123 -0.443681
C -2.165300 -3.087922 -1.596641
C 2.314751 3.115922 -1.553901
H -1.128569 1.220190 2.114405
H -1.405789 -0.532797 2.197979
H 1.261435 0.716864 2.261116
H 1.001698 -1.040924 2.197744
H -2.793093 -0.491195 0.148070
H -2.452019 1.218442 -0.130831
H 2.450006 -1.068168 0.020009
H 2.757310 0.651001 0.285353
H -3.896824 0.086985 2.363174
H -3.548603 1.800130 2.091102
H 3.483987 -1.627210 2.275143
H 3.763704 0.117591 2.578500
H -4.960452 1.746836 -0.018724
H -5.892497 1.265622 1.403322
H -5.317977 0.041640 0.265839
H -0.294519 -3.759825 -0.675147
H -1.756867 -3.916675 0.400468
H 0.381950 3.838662 -0.815861
H 1.754980 4.035233 0.365274
H -2.455030 -4.030285 -2.076495
H -3.084390 -2.555431 -1.320592
H -1.654613 -2.476141 -2.357751
H 2.644153 4.033719 -2.055590
H 3.209753 2.600543 -1.180961
H 1.865900 2.466299 -2.322021


%chk=000257372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257372

0 1
Br 5.397018 -1.127538 1.074177
O -0.915420 -2.125839 0.256446
O 1.109604 2.235952 0.254525
O 0.356862 -1.270107 -1.495009
O -0.413375 1.617297 -1.392706
C -0.032702 0.108637 0.542040
C -1.317096 0.376054 1.408748
C 1.156766 -0.191523 1.520545
C -2.632931 0.616617 0.638042
C 2.512766 -0.514120 0.841712
C -0.183383 -1.119328 -0.378857
C 0.198491 1.354738 -0.335678
C -3.823478 0.838443 1.600169
C 3.590562 -0.699338 1.911649
C -5.152105 1.082526 0.853049
C -1.058681 -3.414876 -0.493712
C 1.366236 3.515512 -0.482905
C -2.240360 -3.349408 -1.464568
C 2.440220 3.312844 -1.554945
H -1.099675 1.249391 2.056953
H -1.445124 -0.500022 2.071553
H 1.273964 0.693271 2.172852
H 0.845483 -1.041024 2.159817
H -2.847370 -0.256576 -0.008802
H -2.537062 1.488974 -0.035285
H 2.438223 -1.427698 0.225751
H 2.797947 0.312485 0.168882
H -3.928114 -0.043250 2.265313
H -3.605484 1.703173 2.260619
H 3.389673 -1.550187 2.581947
H 3.769603 0.215916 2.497466
H -5.084502 1.977688 0.206792
H -5.991314 1.234437 1.556434
H -5.404802 0.222402 0.204782
H -0.112711 -3.615478 -1.026906
H -1.214858 -4.158884 0.303811
H 0.415590 3.858731 -0.927516
H 1.691532 4.207852 0.310012
H -2.382234 -4.336468 -1.942631
H -3.172542 -3.086063 -0.935190
H -2.055495 -2.606508 -2.258220
H 2.665766 4.279873 -2.041628
H 3.374365 2.924391 -1.113223
H 2.090448 2.610527 -2.329504


