%chk=000259245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259245

0 1
Br -1.720472 3.322078 -0.000331
Cl 1.561572 3.260207 0.000147
O 1.404241 -2.994650 -0.000350
O -4.932287 -0.090203 -0.000535
O -3.325786 -1.719945 -0.000835
N -2.800311 0.587222 -0.000560
C 1.430054 0.567721 -0.000035
C 0.693364 -0.662126 -0.000225
C 2.873064 0.251235 0.000114
C 3.021113 -1.173486 0.000013
C 1.673345 -1.824432 -0.000162
C -0.676080 -0.712117 -0.000405
C 0.730442 1.762601 -0.000038
C -1.386552 0.523671 -0.000400
C 3.994582 1.061077 0.000300
C -0.680091 1.739357 -0.000235
C 4.266416 -1.769391 0.000092
C 5.267099 0.447199 0.000386
C 5.405660 -0.936554 0.000282
C -3.635211 -0.549829 -0.000799
C -5.975299 -1.140167 -0.000531
C -7.260338 -0.345500 -0.000191
H -1.212293 -1.674164 -0.000559
H 3.926394 2.146435 0.000379
H 4.367892 -2.855697 0.000020
H 6.155082 1.081572 0.000531
H 6.396725 -1.388348 0.000348
H -3.275713 1.505237 -0.000413
H -5.828080 -1.753374 -0.906407
H -5.827785 -1.753671 0.905097
H -8.135166 -1.008504 -0.000113
H -7.332576 0.307008 0.881713
H -7.332904 0.307236 -0.881898


%chk=000259245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259245

0 1
Br -1.699770 3.416694 0.000058
Cl 1.597195 3.375477 0.000210
O 1.430848 -3.023506 -0.000180
O -4.980234 -0.067378 -0.000364
O -3.370337 -1.784676 -0.000282
N -2.808660 0.527062 -0.000078
C 1.469713 0.582137 0.000168
C 0.734953 -0.643655 0.000103
C 2.926099 0.264611 0.000147
C 3.067422 -1.159112 0.000066
C 1.710821 -1.794844 0.000247
C -0.656732 -0.711646 0.000010
C 0.733642 1.776967 0.000163
C -1.400990 0.505270 -0.000002
C 4.077663 1.075095 0.000109
C -0.687224 1.744527 0.000083
C 4.323815 -1.782552 -0.000090
C 5.351881 0.445165 -0.000024
C 5.481504 -0.964008 -0.000130
C -3.672298 -0.567464 -0.000170
C -6.059528 -1.100896 -0.000622
C -7.384934 -0.347733 -0.000804
H -1.179488 -1.670817 -0.000021
H 4.006399 2.164798 0.000149
H 4.393381 -2.875316 -0.000140
H 6.253301 1.068115 -0.000063
H 6.477421 -1.419073 -0.000234
H -3.265608 1.444518 -0.000075
H -5.931710 -1.734920 -0.896342
H -5.932022 -1.735036 0.895061
H -8.221228 -1.070111 -0.000992
H -7.477750 0.289948 0.894738
H -7.477442 0.290058 -0.896299


