%chk=000281551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281551

0 1
Br 2.591222 -4.769361 -0.723586
O -5.331691 1.475105 1.488897
O -6.971485 0.882098 -0.121829
O 1.829518 3.274491 0.519805
N 1.247416 1.125259 0.149439
N -0.827501 -0.692946 -0.158960
C 2.911613 -0.644782 -0.096378
C 3.976458 0.346518 0.081434
C 1.556508 -0.224905 -0.061241
C 3.637432 1.699438 0.288690
C 0.505530 -1.187518 -0.256303
C 2.230038 2.139776 0.337949
C 3.202012 -2.009947 -0.297996
C 5.343079 -0.008248 0.049961
C 4.642688 2.672443 0.459871
C 0.829121 -2.531869 -0.445931
C 2.174582 -2.925772 -0.462987
C 6.327921 0.957792 0.219522
C -3.184486 -0.691704 -0.624296
C 5.981441 2.304533 0.425239
C -4.776557 0.632262 0.534488
C -5.765581 0.276603 -0.433020
C -3.484133 0.169173 0.467163
C -1.822064 -1.247201 -0.782329
C -4.157880 -1.039870 -1.568550
C -5.482384 -0.556127 -1.493522
C -6.731028 1.663082 1.098606
H 0.254537 1.401501 0.206212
H 4.247100 -2.336265 -0.319541
H 5.627564 -1.049265 -0.108494
H 4.346760 3.714616 0.619507
H 0.039822 -3.277267 -0.566999
H 7.380580 0.671848 0.193411
H 6.761838 3.052485 0.556770
H -2.723056 0.441370 1.199197
H -1.754496 -2.120359 -1.455091
H -3.902107 -1.700272 -2.398246
H -6.230895 -0.827924 -2.232657
H -7.363232 1.245892 1.893410
H -6.874706 2.723516 0.852186


%chk=000281551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281551

0 1
Br 2.618981 -4.815450 -1.135427
O -5.254345 1.893305 1.165609
O -7.044235 0.802625 -0.006802
O 1.781693 3.229110 0.794406
N 1.276749 1.037152 0.213717
N -0.769425 -0.658489 -0.244459
C 2.970682 -0.682657 -0.181399
C 4.011043 0.326213 0.086267
C 1.605720 -0.275909 -0.109310
C 3.619439 1.665378 0.413752
C 0.533321 -1.193737 -0.371337
C 2.187182 2.063991 0.494423
C 3.252615 -2.038594 -0.501676
C 5.403499 0.030441 0.033718
C 4.595778 2.659103 0.677789
C 0.847635 -2.542626 -0.673156
C 2.198277 -2.935859 -0.733128
C 6.363809 1.022217 0.296046
C -3.182372 -0.709621 -0.596383
C 5.963396 2.345451 0.620469
C -4.753240 0.826504 0.382457
C -5.815148 0.185598 -0.305787
C -3.434513 0.410296 0.263352
C -1.825212 -1.221854 -0.789000
C -4.256568 -1.349011 -1.280109
C -5.597019 -0.909893 -1.146503
C -6.719440 1.920591 0.928401
H 0.269871 1.243247 0.265753
H 4.283714 -2.393706 -0.558351
H 5.742368 -0.980079 -0.214347
H 4.241552 3.665346 0.924110
H 0.053074 -3.277839 -0.827793
H 7.428981 0.770396 0.249223
H 6.716615 3.113764 0.823627
H -2.611515 0.893002 0.794223
H -1.743372 -2.111560 -1.446614
H -4.039202 -2.203547 -1.931195
H -6.421490 -1.398478 -1.670470
H -7.245034 1.748369 1.882277
H -6.992367 2.875012 0.447433


