%chk=000254694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254694

0 1
Br 0.953100 -3.492346 1.630040
O -1.851259 -0.673958 1.178458
O -2.615068 1.096580 -1.788211
O -4.237396 2.024812 1.312471
N 0.207620 -1.181880 0.151716
N 2.446704 -1.341223 0.742561
N 0.344080 1.035885 -1.053171
N 2.608986 1.967378 -1.086236
N 4.458116 0.883474 -0.085918
C -1.250188 -1.493011 0.173468
C -2.855815 0.029086 -0.894405
C -1.945181 -1.190054 -1.158292
C -2.549311 0.451792 0.568868
C -3.783494 0.677233 1.448726
C 0.845354 -0.024888 -0.341280
C 1.248193 -1.901780 0.808447
C 2.236986 -0.148067 0.024066
C 3.122893 0.897116 -0.372869
C 1.277393 1.977309 -1.380993
H -1.391017 -2.537743 0.543644
H -3.929578 -0.199152 -1.071378
H -2.525331 -2.060712 -1.509723
H -1.236359 -0.964578 -1.982236
H -1.861858 1.327798 0.605747
H -3.522145 0.599089 2.525148
H -4.607958 -0.020594 1.224467
H -1.651968 1.363174 -1.778302
H -4.445348 2.225763 0.372879
H 0.916376 2.852488 -1.951281
H 4.857466 0.126195 0.449763
H 5.055806 1.645613 -0.368674


%chk=000254694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254694

0 1
Br 0.931899 -3.522439 1.742858
O -2.017298 -1.003349 1.203884
O -2.413116 1.273604 -1.598239
O -4.137700 2.094766 1.071246
N 0.184580 -1.181557 0.147544
N 2.413136 -1.266331 0.757224
N 0.259832 1.007974 -1.101939
N 2.508770 1.988017 -1.138636
N 4.354845 0.962799 -0.081134
C -1.248524 -1.602638 0.112915
C -2.780979 0.093924 -0.833755
C -1.979413 -1.204716 -1.189512
C -2.526546 0.299071 0.696353
C -3.777215 0.725821 1.465940
C 0.794753 -0.021368 -0.375716
C 1.225404 -1.865294 0.822759
C 2.160161 -0.106222 0.004950
C 3.029152 0.947987 -0.400478
C 1.183324 1.962874 -1.440874
H -1.242344 -2.685140 0.308069
H -3.855805 -0.058351 -1.032235
H -2.665127 -2.024018 -1.458624
H -1.301660 -1.033419 -2.040299
H -1.744654 1.075177 0.827885
H -3.589517 0.760110 2.551754
H -4.608991 0.017445 1.267365
H -1.395187 1.333269 -1.512471
H -3.933564 2.224348 0.106076
H 0.806931 2.808736 -2.023309
H 4.755378 0.205247 0.469222
H 4.929273 1.744472 -0.391324


