%chk=000236811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236811

0 1
Br -0.014340 -2.871188 1.408879
O -0.573592 -0.079434 1.496406
O -0.342539 -1.205315 -1.696221
O 5.373721 1.059889 -0.372413
C -0.804718 -1.137328 0.629259
C -2.257202 -1.454081 0.288472
C -3.100047 -0.246289 -0.031149
C 0.119443 -0.906370 -0.614581
C 1.482803 -0.385842 -0.441101
C -4.214002 0.052702 0.770288
C -2.816794 0.556222 -1.146018
C 2.232608 -0.158298 -1.623062
C 2.071876 -0.122031 0.805564
C -5.017820 1.156045 0.470957
C -3.621199 1.660405 -1.437819
C 3.526742 0.326768 -1.562794
C 3.375984 0.366277 0.893134
C 4.092296 0.586491 -0.292215
C -1.345515 -0.021696 2.722842
C -4.720550 1.966054 -0.629076
C 6.074772 1.357284 0.862121
H -2.731503 -2.045097 1.101807
H -2.268141 -2.138725 -0.600584
H -4.465129 -0.578517 1.619991
H -1.974951 0.310097 -1.797473
H 1.768264 -0.375747 -2.592034
H 1.508093 -0.295822 1.730429
H -5.880385 1.382508 1.095517
H -3.391802 2.282053 -2.302455
H 4.116307 0.508248 -2.459039
H 3.814036 0.562271 1.865733
H -1.311203 -0.980912 3.248774
H -2.370412 0.288496 2.498087
H -0.813538 0.758162 3.282606
H -5.344996 2.826641 -0.858749
H 6.184862 0.450184 1.463407
H 5.559930 2.152932 1.407984
H 7.048038 1.701962 0.487326


%chk=000236811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236811

0 1
Br -0.048555 -2.955205 1.551447
O -0.570415 -0.034619 1.589266
O -0.323018 -1.250758 -1.677763
O 5.495391 1.089438 -0.439769
C -0.798809 -1.069773 0.680145
C -2.266201 -1.410062 0.333939
C -3.147512 -0.214019 -0.041297
C 0.148944 -0.919050 -0.546328
C 1.529462 -0.389991 -0.409498
C -4.340322 0.021779 0.692847
C -2.846270 0.640695 -1.133955
C 2.227456 -0.088914 -1.620103
C 2.205138 -0.193728 0.825696
C -5.207817 1.084908 0.353950
C -3.708567 1.708225 -1.469126
C 3.535727 0.403374 -1.599077
C 3.525987 0.291221 0.861008
C 4.193694 0.597693 -0.353589
C -1.405759 0.018713 2.807409
C -4.890263 1.938207 -0.727173
C 6.235292 1.308744 0.809383
H -2.716884 -1.940755 1.189289
H -2.214741 -2.124409 -0.506447
H -4.602733 -0.647179 1.523373
H -1.951122 0.456797 -1.734538
H 1.710002 -0.255936 -2.569966
H 1.699867 -0.434162 1.762414
H -6.127358 1.242998 0.928907
H -3.461124 2.356842 -2.317193
H 4.075138 0.643335 -2.519890
H 4.023324 0.420877 1.826355
H -1.330286 -0.943542 3.346201
H -2.452598 0.248239 2.550077
H -0.975261 0.832678 3.408057
H -5.558173 2.765344 -0.992489
H 6.366166 0.361967 1.366872
H 5.726010 2.054328 1.449014
H 7.215589 1.694700 0.495352


