%chk=000218588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218588

0 1
Br 5.530321 -1.555020 1.457892
O -2.510384 -0.643754 -0.916247
O 0.049795 -0.879742 2.252893
O -3.888244 -1.098121 0.821342
N -0.664427 0.584401 0.645930
N 0.851831 1.516913 -0.966035
C 1.707124 -0.048809 0.722804
C -0.373003 1.400333 -0.482895
C -2.038866 0.439118 1.165205
C 0.368102 -0.199485 1.299525
C 1.913197 0.800924 -0.389473
C 2.793925 -0.760555 1.280313
C -1.481591 2.153525 -1.133514
C 3.214267 0.939300 -0.941884
C -2.920442 -0.525448 0.384739
C 4.050412 -0.607473 0.722277
C 4.269889 0.240160 -0.388378
C -3.247133 -1.565205 -1.790102
C -4.545746 -0.928566 -2.233388
H -1.983894 0.050625 2.226893
H -2.550570 1.428556 1.224199
H 2.614063 -1.415289 2.141094
H -1.972988 2.859093 -0.450007
H -2.245830 1.460594 -1.536377
H -1.108721 2.745491 -1.991046
H 3.354092 1.600195 -1.799906
H 5.275669 0.339459 -0.806132
H -2.514742 -1.692761 -2.608910
H -3.399654 -2.514204 -1.245292
H -5.057523 -1.547976 -2.981416
H -5.238861 -0.805445 -1.386413
H -4.388267 0.062066 -2.676191


%chk=000218588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218588

0 1
Br 5.467127 -1.782886 1.028152
O -2.442111 -1.042364 -0.527634
O 0.038735 -0.990042 2.223797
O -4.305974 -0.233690 0.627612
N -0.721543 0.652929 0.724332
N 0.716372 1.676994 -0.912068
C 1.612892 -0.057438 0.621650
C -0.471001 1.549580 -0.335412
C -2.066835 0.495927 1.303956
C 0.299045 -0.201816 1.266845
C 1.773735 0.875980 -0.449880
C 2.703273 -0.850075 1.066315
C -1.608246 2.412013 -0.826624
C 3.049228 0.999646 -1.068718
C -3.069518 -0.273899 0.439447
C 3.943028 -0.701637 0.434429
C 4.130276 0.217995 -0.633262
C -3.326926 -1.892770 -1.392338
C -3.831001 -1.096108 -2.597544
H -1.933041 -0.081460 2.239387
H -2.513973 1.469107 1.560392
H 2.542215 -1.552945 1.888628
H -1.997181 3.077571 -0.033710
H -2.453653 1.806703 -1.200459
H -1.225648 3.031698 -1.649542
H 3.161775 1.716279 -1.887124
H 5.110511 0.313365 -1.108929
H -2.667104 -2.723425 -1.687013
H -4.161493 -2.265272 -0.773123
H -4.395630 -1.765797 -3.272229
H -4.506742 -0.284064 -2.280127
H -2.988792 -0.667197 -3.167708


