%chk=000293211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293211

0 1
Br 3.674873 2.935062 0.166694
Cl -0.884525 -0.838837 2.105607
O -3.057906 -1.928738 0.354234
O -4.712517 1.955436 -0.087131
O -6.613119 0.927302 0.498821
N -3.509568 -0.189991 -1.062891
C 1.606950 0.946251 0.364123
C 2.000801 -1.473334 0.262736
C 1.117113 -0.378723 0.365559
C 3.885343 0.072478 0.106056
C 2.988566 1.148647 0.219801
C 3.372647 -1.231889 0.131725
C 0.647600 2.097383 0.514219
C 1.500847 -2.893085 0.286822
C 5.370926 0.260033 -0.045336
C -0.326226 -0.629436 0.477930
C 0.236445 2.655267 -0.846992
C 1.194163 -3.391396 -1.124207
C 5.745967 0.509842 -1.505276
C -1.197006 -0.697123 -0.533612
C -2.631480 -1.012070 -0.321821
C -4.956136 -0.303097 -0.828630
C -5.547848 0.860010 -0.060460
H 4.056838 -2.075910 0.041209
H -0.255585 1.788200 1.083140
H 1.091577 2.903206 1.139280
H 2.251431 -3.556387 0.766335
H 0.594240 -2.986966 0.924503
H 5.735297 1.094395 0.592049
H 5.911633 -0.634579 0.330420
H -0.264570 1.897326 -1.459161
H -0.450630 3.501657 -0.732459
H 1.105504 3.015061 -1.414267
H 2.071264 -3.323997 -1.778221
H 0.870471 -4.439376 -1.107713
H 0.387418 -2.810334 -1.588324
H 5.437882 -0.322474 -2.148801
H 6.828937 0.635279 -1.617164
H 5.269018 1.419090 -1.894701
H -0.875162 -0.564295 -1.569588
H -3.196195 0.710934 -1.423747
H -5.487826 -0.388048 -1.810096
H -5.181075 -1.256272 -0.266639
H -5.081276 2.728500 0.420674


%chk=000293211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293211

0 1
Br 4.163451 2.763337 0.683375
Cl -0.377322 -1.044645 2.835896
O -3.206700 -0.874586 1.664256
O -4.840191 0.547067 -2.671380
O -6.951922 0.146147 -1.780090
N -3.517759 -0.154052 -0.514935
C 1.884750 0.916807 0.854240
C 1.954603 -1.471350 0.150673
C 1.246539 -0.353942 0.680351
C 3.982432 -0.055513 -0.095075
C 3.240753 1.022777 0.451878
C 3.304033 -1.291924 -0.223623
C 1.109455 2.089648 1.438177
C 1.303284 -2.835095 -0.038229
C 5.427103 0.049768 -0.556569
C -0.179464 -0.519377 1.087174
C 0.511145 3.017628 0.347374
C 0.779234 -3.050695 -1.483687
C 5.548950 0.608600 -2.000136
C -1.249010 -0.325902 0.270719
C -2.703400 -0.483323 0.566167
C -4.968501 -0.256407 -0.386095
C -5.713937 0.150696 -1.642567
H 3.860742 -2.147188 -0.626990
H 0.291889 1.712123 2.076401
H 1.775211 2.685038 2.088198
H 2.045727 -3.622971 0.191503
H 0.468663 -2.969709 0.672246
H 6.003456 0.696348 0.129526
H 5.887761 -0.955040 -0.520421
H -0.214363 2.470813 -0.281450
H -0.017171 3.867551 0.816027
H 1.300776 3.424157 -0.308193
H 1.592842 -2.937476 -2.223127
H 0.350638 -4.063192 -1.594930
H -0.009698 -2.318185 -1.732027
H 5.007603 -0.033063 -2.718800
H 6.609352 0.653425 -2.308187
H 5.130039 1.627842 -2.066436
H -0.992200 -0.009714 -0.750426
H -3.141178 0.172288 -1.406864
H -5.272231 -1.289735 -0.124923
H -5.337219 0.368153 0.451879
H -5.363064 0.807875 -3.476201


