%chk=000201051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201051

0 1
Br 4.353023 1.705385 -0.988019
O 0.963968 -0.057744 0.657962
O -2.252868 -2.488252 1.138514
N -0.024484 -2.529098 0.789868
C -0.243694 0.438038 0.207765
C -1.317724 -0.473244 0.278947
C -0.414753 1.746712 -0.267401
C 2.160225 0.761583 0.566311
C -2.584496 -0.022612 -0.134878
C -1.684569 2.154371 -0.679560
C -2.769494 1.273701 -0.616446
C -1.253532 -1.875100 0.784646
C 2.692924 0.683908 -0.854432
H 2.817399 0.254725 1.303186
H 1.949944 1.792115 0.904603
H 0.416483 2.445011 -0.306967
H -3.432075 -0.717073 -0.065435
H -1.829000 3.170238 -1.051554
H -3.757630 1.598796 -0.936467
H 2.907045 -0.358797 -1.155316
H 1.978592 1.094438 -1.592937
H 0.850763 -2.054830 0.630278
H 0.030655 -3.455370 1.186733


%chk=000201051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201051

0 1
Br 4.423426 1.920919 -0.979324
O 1.030268 -0.146700 0.547224
O -2.394548 -2.670655 0.706603
N -0.117670 -2.502569 1.097248
C -0.238894 0.364397 0.163645
C -1.351884 -0.526641 0.245920
C -0.413476 1.699097 -0.276093
C 2.224383 0.718838 0.488267
C -2.626335 -0.028193 -0.126206
C -1.697464 2.162128 -0.634722
C -2.811798 1.297511 -0.562123
C -1.328145 -1.976065 0.697943
C 2.773459 0.748699 -0.943206
H 2.946830 0.243292 1.170479
H 1.997254 1.730774 0.868164
H 0.432014 2.390200 -0.342200
H -3.460439 -0.734398 -0.053849
H -1.818052 3.197501 -0.971650
H -3.808473 1.652278 -0.841985
H 3.102490 -0.244858 -1.279070
H 2.073309 1.189695 -1.666706
H 0.725850 -1.924782 1.084995
H -0.105403 -3.473566 1.406048


