%chk=000289439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289439

0 1
Br -1.018792 2.420226 0.013108
O 4.706120 0.919547 1.530274
O 6.122071 -0.080810 -0.091306
O -6.483608 -1.006665 0.448020
O -6.336857 1.151745 0.427364
N -0.211284 -0.237517 0.096856
N -5.848301 0.034468 0.394569
C 3.941958 0.314209 0.540757
C 4.797270 -0.286213 -0.433635
C 2.050531 -0.427448 -0.683283
C 2.571681 0.260896 0.446557
C 4.298098 -0.955115 -1.530468
C 2.891659 -1.011715 -1.637888
C 6.104497 0.685333 1.162431
C 0.586818 -0.532208 -0.876819
C -1.620094 -0.287096 0.052326
C -2.243095 0.985097 0.098908
C -2.397309 -1.454875 0.120265
C -4.381575 -0.068361 0.278148
C -3.615094 1.113735 0.213581
C -3.781732 -1.338670 0.238424
H 1.910219 0.713054 1.188866
H 4.945601 -1.413354 -2.273193
H 2.465950 -1.533207 -2.496375
H 6.560774 0.061703 1.942669
H 6.571422 1.659586 0.966118
H 0.268887 -0.849107 -1.886619
H -1.923113 -2.435542 0.100193
H -4.106335 2.094460 0.255114
H -4.413366 -2.234454 0.297938


%chk=000289439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289439

0 1
Br -1.590969 3.007806 0.237874
O 4.877193 0.920466 1.474462
O 6.192953 -0.292997 -0.126457
O -6.420538 -1.407094 0.256805
O -6.572108 0.865190 0.433899
N -0.212153 0.201562 0.078889
N -5.891259 -0.227416 0.309457
C 4.040019 0.286559 0.526497
C 4.823898 -0.428965 -0.415506
C 2.040019 -0.413012 -0.606234
C 2.654055 0.318388 0.463417
C 4.247564 -1.147730 -1.467535
C 2.833254 -1.126889 -1.548586
C 6.268305 0.579367 1.084271
C 0.583151 -0.437657 -0.745339
C -1.604139 0.085887 0.056836
C -2.429053 1.247314 0.197053
C -2.256229 -1.187365 0.006176
C -4.422135 -0.125515 0.220129
C -3.823992 1.155588 0.274388
C -3.651399 -1.301860 0.087518
H 2.033904 0.868780 1.174744
H 4.861444 -1.693025 -2.187720
H 2.337776 -1.673806 -2.358906
H 6.746973 0.012293 1.899944
H 6.809931 1.503297 0.820969
H 0.183495 -1.009086 -1.609215
H -1.635631 -2.086925 -0.063294
H -4.457360 2.040217 0.373813
H -4.153967 -2.271670 0.054548


