%chk=000180759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180759

0 1
Br 5.588792 -1.217476 -0.830427
O -4.363339 0.773255 0.590082
O -2.888046 0.859086 -1.132223
N 0.250078 1.295690 0.692630
N -0.669500 -0.958381 0.702337
N 0.430188 -1.488858 0.394021
C -2.131426 0.992879 1.203727
C 1.475392 0.722344 0.348420
C -0.779657 0.464315 0.847292
C 1.575823 -0.691441 0.187064
C 2.630066 1.539499 0.152616
C 2.818500 -1.288565 -0.171771
C -3.102758 0.858423 0.052924
C 3.821731 0.948670 -0.192489
C 3.905159 -0.466046 -0.351802
C -5.494031 0.614224 -0.330084
C -5.542584 -0.808855 -0.841085
H -2.530811 0.459743 2.103681
H -2.072267 2.071130 1.498926
H 2.533684 2.621107 0.278810
H 2.867651 -2.375663 -0.292862
H 4.717276 1.557842 -0.349518
H -6.336325 0.870200 0.338712
H -5.391390 1.357231 -1.140563
H -6.460933 -1.002587 -1.407663
H -4.692491 -1.023859 -1.507624
H -5.495583 -1.536407 -0.019730


%chk=000180759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180759

0 1
Br 5.720987 -0.987886 -0.976310
O -4.359043 0.814480 0.550123
O -2.691059 0.491023 -1.053870
N 0.222523 1.203028 0.741330
N -0.536514 -1.126969 0.955588
N 0.660793 -1.618422 0.592399
C -2.113249 0.711401 1.352398
C 1.465066 0.714696 0.365010
C -0.716756 0.274143 1.000041
C 1.681221 -0.708464 0.273004
C 2.537371 1.606374 0.061178
C 2.948302 -1.229614 -0.127026
C -3.040626 0.646591 0.135760
C 3.775760 1.092259 -0.329946
C 3.966430 -0.325567 -0.421054
C -5.406627 0.772721 -0.522454
C -5.822997 -0.671325 -0.812570
H -2.536020 0.067483 2.141405
H -2.097923 1.751371 1.721109
H 2.361579 2.683458 0.133706
H 3.076890 -2.313561 -0.186847
H 4.604794 1.763929 -0.570185
H -6.230621 1.367629 -0.097704
H -5.003066 1.265652 -1.424335
H -6.650109 -0.678550 -1.546591
H -4.981929 -1.244664 -1.236636
H -6.171977 -1.173719 0.105879


