%chk=000281886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281886

0 1
Br 0.513568 -4.652655 0.815267
O -0.913066 2.111682 0.704593
O -4.209113 -2.031014 0.002177
O 2.881033 2.664527 1.499088
O 4.721927 -1.173736 -2.013411
N 1.235823 0.593363 0.769024
N -2.294262 -3.770537 0.417912
C -1.058285 -0.239659 0.414495
C -1.966119 -1.338473 0.304842
C 0.312470 -0.462680 0.594697
C -2.975583 1.361344 -0.140397
C -3.848588 0.273636 -0.289809
C -1.585263 1.153185 0.354749
C -3.394004 -1.114124 0.021268
C -1.487624 -2.662527 0.438487
C 0.799862 -1.812582 0.714578
C -0.070834 -2.855598 0.637876
C -3.412725 2.657565 -0.439552
C -5.158611 0.485604 -0.735689
C 2.543379 0.611886 0.239524
C -4.720494 2.864562 -0.893278
C -5.591413 1.781577 -1.039708
C 3.408806 1.659218 0.691065
C 3.040241 -0.306426 -0.690104
C 4.379481 -0.188026 -1.115866
C 4.723080 1.759071 0.248662
C 5.231431 0.824588 -0.662138
C 2.999485 2.390371 2.920880
C 6.060256 -1.152095 -2.567139
H 1.870096 -1.975739 0.895676
H 0.852718 1.526422 1.052594
H -2.724597 3.498745 -0.310583
H -5.833196 -0.369804 -0.839857
H -5.058328 3.873981 -1.129274
H -6.611217 1.943730 -1.389642
H -1.936063 -4.711289 0.406273
H -3.303849 -3.661452 0.264909
H 2.422734 -1.087210 -1.128013
H 5.348433 2.575110 0.612474
H 6.256613 0.905681 -1.001241
H 4.053244 2.344142 3.205148
H 2.476586 1.465426 3.177105
H 2.504795 3.262643 3.363385
H 6.225156 -0.226734 -3.126661
H 6.037596 -2.019749 -3.239586
H 6.801118 -1.288747 -1.774401


%chk=000281886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281886

0 1
Br 0.584065 -4.673123 0.671242
O -0.763390 2.195032 0.076469
O -4.320814 -2.046869 0.058734
O 2.727926 2.716288 1.105711
O 5.262487 -1.387145 -1.805785
N 1.245149 0.594280 0.112657
N -2.396968 -3.733048 0.289968
C -1.076169 -0.206301 0.113640
C -2.007348 -1.312819 0.147939
C 0.342262 -0.457386 0.167032
C -3.026619 1.410007 -0.081487
C -3.941331 0.318936 -0.076422
C -1.568413 1.175655 0.034613
C -3.457440 -1.078036 0.048153
C -1.535854 -2.670514 0.273028
C 0.792680 -1.810120 0.347877
C -0.111239 -2.855801 0.398602
C -3.515019 2.737793 -0.193204
C -5.334019 0.568614 -0.184996
C 2.644617 0.557864 -0.079835
C -4.897062 2.976302 -0.303130
C -5.810034 1.887623 -0.299028
C 3.398412 1.660085 0.441946
C 3.320546 -0.428616 -0.836879
C 4.718318 -0.341694 -1.041299
C 4.780733 1.743736 0.213645
C 5.462531 0.744969 -0.520000
C 2.393719 2.448314 2.521804
C 6.695999 -1.331574 -2.100684
H 1.856653 -2.007129 0.488467
H 0.773912 1.535733 0.158506
H -2.787540 3.554937 -0.191820
H -6.012552 -0.289554 -0.176488
H -5.270589 4.002118 -0.392252
H -6.885643 2.076344 -0.384164
H -2.039391 -4.682304 0.388581
H -3.404798 -3.494911 0.207947
H 2.783005 -1.239660 -1.334410
H 5.319074 2.609466 0.612321
H 6.539809 0.831931 -0.683166
H 3.317888 2.332322 3.120295
H 1.768521 1.540849 2.621888
H 1.828940 3.328705 2.862964
H 6.953792 -0.420610 -2.675178
H 6.898020 -2.224288 -2.710378
H 7.299874 -1.369198 -1.173029


