%chk=000248119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248119

0 1
Br 7.987369 1.961260 0.000465
O -4.898600 -2.267068 0.000519
O -5.244477 2.343978 -0.000402
N -3.110968 1.481179 -0.000256
N -5.078510 0.033231 0.000359
N -1.835831 -1.871777 -0.000038
N -0.924629 0.257386 -0.000666
N 0.595265 -1.733492 -0.000972
N 1.709841 -0.942755 -0.000604
C -2.905874 -0.949261 0.000034
C -2.318368 0.341010 -0.000263
C -4.325677 -1.196353 0.000322
C -4.540080 1.353388 0.000362
C -0.659533 -1.096084 -0.000516
C -2.489104 2.827624 -0.000727
C -6.565635 -0.050619 0.000361
C 4.085907 -0.654561 -0.000251
C 2.885331 -1.513962 -0.000483
C 5.351224 -1.270692 -0.000826
C 3.995349 0.748525 0.000546
C 6.512169 -0.494825 -0.000617
C 5.153935 1.529006 0.000758
C 6.399448 0.897844 0.000172
H -1.960058 -2.868507 -0.000065
H -3.273100 3.609176 -0.001427
H -1.853980 2.954531 -0.896031
H -1.854678 2.955476 0.894928
H -6.883215 -1.110858 0.000290
H -6.978927 0.446257 -0.894371
H -6.978894 0.446131 0.895177
H 0.630157 -2.756994 -0.000547
H 3.081799 -2.596139 -0.000494
H 5.435833 -2.356741 -0.001438
H 3.012469 1.231919 0.000989
H 7.491138 -0.976399 -0.001067
H 5.077105 2.617867 0.001377


%chk=000248119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248119

0 1
Br 8.204748 1.840429 0.000126
O -4.905560 -2.364932 -0.000024
O -5.346753 2.343027 0.000444
N -3.168547 1.465010 -0.000445
N -5.104685 0.011371 -0.000211
N -1.843092 -1.830830 -0.000405
N -0.989108 0.294447 -0.000303
N 0.562906 -1.600420 -0.000439
N 1.684638 -0.802950 -0.000342
C -2.943290 -0.953312 -0.000404
C -2.379614 0.328777 -0.000431
C -4.349314 -1.221277 -0.000259
C -4.583228 1.335471 -0.000660
C -0.702317 -1.032899 -0.000416
C -2.556879 2.807622 -0.000147
C -6.581897 -0.089735 0.000353
C 4.100982 -0.621421 -0.000245
C 2.860467 -1.401214 -0.000359
C 5.351948 -1.297409 -0.000292
C 4.090093 0.803741 -0.000085
C 6.566400 -0.579494 -0.000186
C 5.294631 1.530859 0.000023
C 6.522871 0.829858 -0.000028
H -1.923850 -2.847233 -0.000418
H -3.374103 3.543293 -0.000845
H -1.925754 2.936117 -0.895244
H -1.927092 2.936416 0.895860
H -6.835655 -1.160130 0.000636
H -6.996608 0.406082 -0.892528
H -6.995979 0.406384 0.893359
H 0.641784 -2.628458 -0.000502
H 2.960970 -2.506451 -0.000446
H 5.381194 -2.394045 -0.000413
H 3.127213 1.323933 -0.000048
H 7.524492 -1.106457 -0.000226
H 5.282188 2.624532 0.000148


