%chk=000290452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290452

0 1
Br 5.586092 -0.814685 1.930913
O -3.193788 -1.749179 -0.288917
O -1.136746 -2.098277 0.592245
O 0.419762 2.893273 -1.189474
N -2.523791 0.674245 0.491919
N -1.401696 2.787828 0.196006
N -3.417981 2.680238 1.461524
C -0.522994 0.718362 -0.850844
C -1.553524 0.026710 -0.297858
C 0.587164 0.088244 -1.632531
C -1.791416 -1.466446 -0.497504
C 1.789636 -0.127747 -0.745128
C -0.423875 2.202558 -0.663277
C -2.382083 2.067332 0.715857
C 1.914301 -1.303605 0.008451
C 2.782751 0.861231 -0.667404
C 3.042414 -1.511509 0.807313
C 3.913046 0.663093 0.129099
C 4.031628 -0.527537 0.849392
C -3.979281 -1.850787 -1.492314
C -1.273991 -3.539319 0.623141
H 0.275041 -0.864186 -2.105018
H 0.859644 0.761601 -2.482640
H -1.442402 -1.849121 -1.477076
H -3.315239 0.123142 0.841444
H 1.116611 -2.048064 -0.004457
H 2.655438 1.801329 -1.214451
H 3.138679 -2.427339 1.389700
H 4.683065 1.433436 0.186045
H -3.708573 2.206198 2.308604
H -3.274693 3.681043 1.616297
H -4.981829 -2.079252 -1.105489
H -3.616081 -2.667574 -2.122727
H -3.980634 -0.896851 -2.029093
H -2.333134 -3.816629 0.651398
H -0.776818 -3.794180 1.568299
H -0.759003 -3.987177 -0.229945


%chk=000290452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290452

0 1
Br 5.902564 -0.607965 1.778931
O -3.331579 -1.809623 -0.426066
O -1.349450 -2.233496 0.763711
O 0.356605 2.857777 -1.084050
N -2.579355 0.576117 0.570543
N -1.494426 2.700291 0.347827
N -3.398891 2.492585 1.692327
C -0.570214 0.657118 -0.751073
C -1.614620 -0.065297 -0.220442
C 0.569718 0.068296 -1.557626
C -1.872054 -1.552737 -0.388465
C 1.854346 -0.079658 -0.733137
C -0.525662 2.140035 -0.519200
C -2.454843 1.931911 0.853827
C 1.914186 -0.983543 0.358183
C 3.003689 0.683296 -1.050013
C 3.103486 -1.145139 1.103799
C 4.202714 0.536233 -0.314736
C 4.236485 -0.384369 0.750658
C -3.919641 -1.570975 -1.755994
C -1.460603 -3.704747 0.672869
H 0.289770 -0.916165 -1.978842
H 0.769060 0.753656 -2.400104
H -1.423161 -1.940165 -1.331514
H -3.379890 0.005144 0.861514
H 1.021683 -1.553499 0.645184
H 2.957418 1.417149 -1.861116
H 3.143272 -1.844362 1.944238
H 5.084355 1.133308 -0.564464
H -4.060313 1.941711 2.233002
H -3.294696 3.487249 1.880045
H -4.985681 -1.827596 -1.663366
H -3.446616 -2.218341 -2.521132
H -3.816637 -0.510800 -2.060878
H -2.519474 -4.010247 0.626593
H -0.987802 -4.089903 1.588038
H -0.918044 -4.082851 -0.217571


