%chk=000237563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237563

0 1
Br 1.578442 1.315299 -1.906488
O 2.037109 -2.208715 -0.725043
O 2.671847 1.848790 1.419676
O -1.970729 0.838743 1.821399
O -3.340533 0.495875 -2.586258
N 2.008391 -0.127730 0.346642
N -2.363407 0.826038 -0.485239
C 0.038499 0.475541 -0.977409
C 0.549880 0.063242 0.412379
C -1.116390 1.480877 -0.935841
C 2.636261 -1.273302 -0.263433
C 2.965197 0.835916 0.845196
C -2.690865 0.571626 0.895279
C -3.399165 0.381819 -1.392227
C 4.109910 -1.003407 -0.151134
C 4.304361 0.245552 0.503141
C -4.044946 -0.074955 0.854953
C -4.462488 -0.192034 -0.501352
C 5.179333 -1.760273 -0.577996
C 5.569015 0.741849 0.733313
C -4.839239 -0.521879 1.888064
C -5.675065 -0.757766 -0.829125
C 6.479765 -1.253271 -0.342514
C 6.669701 -0.033698 0.296638
C -6.086492 -1.103630 1.554260
C -6.493405 -1.218952 0.230715
H -0.219947 -0.417792 -1.592411
H 0.058459 -0.881678 0.741070
H 0.314392 0.840789 1.185570
H -0.879454 2.332233 -0.251943
H -1.297476 1.915046 -1.952389
H 5.034159 -2.716653 -1.081824
H 5.722100 1.699144 1.233161
H -4.523818 -0.433451 2.928850
H -5.999045 -0.850224 -1.866932
H 7.340708 -1.836350 -0.673002
H 7.679852 0.341197 0.468384
H -6.731368 -1.464575 2.357649
H -7.458148 -1.671041 -0.006980


%chk=000237563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237563

0 1
Br 1.172309 2.842271 -2.080261
O 1.184261 -1.494590 -0.620380
O 3.274453 2.298804 1.230092
O -2.443931 1.699076 1.788420
O -2.820870 0.055603 -2.608602
N 1.928693 0.576211 0.279234
N -2.379342 1.090811 -0.512079
C 0.019254 1.508590 -1.053386
C 0.635186 1.258892 0.334564
C -1.412215 2.090008 -0.988653
C 2.108533 -0.754111 -0.196828
C 3.159277 1.157055 0.726810
C -2.840633 0.982513 0.835754
C -3.025480 0.147463 -1.375019
C 3.574384 -1.032637 -0.071457
C 4.202726 0.111026 0.479643
C -3.847138 -0.125754 0.826668
C -3.953538 -0.628527 -0.493761
C 4.307436 -2.180882 -0.405525
C 5.584769 0.144768 0.715756
C -4.606927 -0.661244 1.877299
C -4.822645 -1.683542 -0.807549
C 5.707288 -2.156585 -0.172178
C 6.336187 -1.011607 0.379725
C -5.489494 -1.729533 1.570105
C -5.595297 -2.233102 0.248706
H 0.044052 0.603915 -1.680262
H -0.074282 0.642596 0.919146
H 0.788789 2.210067 0.873139
H -1.448431 2.958796 -0.308233
H -1.718920 2.404865 -1.999875
H 3.811414 -3.058562 -0.831375
H 6.058679 1.034415 1.141871
H -4.517083 -0.265110 2.893498
H -4.895302 -2.064473 -1.830866
H 6.313246 -3.034033 -0.421934
H 7.418379 -1.021960 0.547587
H -6.098492 -2.173972 2.364393
H -6.283893 -3.059319 0.042610


