%chk=000256819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256819

0 1
Br 4.195324 -0.960692 -1.593340
Br 4.195900 -0.959428 1.592986
O -2.795460 -0.461275 0.000288
O -2.711800 1.792697 0.000661
C 2.120113 0.173483 -0.000221
C -0.652640 0.511433 0.000239
C 1.573464 1.466846 -0.000410
C 1.276810 -0.949962 0.000213
C 0.187673 1.634980 -0.000175
C -0.107147 -0.781555 0.000442
C 3.604221 0.009719 -0.000458
C -2.120040 0.735122 0.000475
C -4.266528 -0.386445 0.000407
C -4.699310 -1.835868 0.000363
H 2.221371 2.342972 -0.000735
H 1.706400 -1.954750 0.000375
H -0.250952 2.637968 -0.000299
H -0.773940 -1.649333 0.000779
H 4.153448 0.980335 -0.000953
H -4.571790 0.168685 0.904146
H -4.571912 0.168774 -0.903235
H -5.792775 -1.922688 0.000392
H -4.318040 -2.369572 -0.881300
H -4.317989 -2.369645 0.881960


%chk=000256819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256819

0 1
Br 4.377467 -0.871976 -1.660029
Br 4.377145 -0.871631 1.660324
O -2.816519 -0.527325 -0.000120
O -2.680815 1.800790 0.000077
C 2.182072 0.170868 -0.000162
C -0.634987 0.467671 -0.000399
C 1.599623 1.465459 -0.000161
C 1.343273 -0.974217 -0.000279
C 0.198866 1.612657 -0.000268
C -0.054252 -0.829034 -0.000393
C 3.677798 0.066027 -0.000023
C -2.114369 0.679519 -0.000540
C -4.307592 -0.411360 0.000479
C -4.861071 -1.832260 0.000980
H 2.239955 2.355225 -0.000071
H 1.794524 -1.971944 -0.000283
H -0.266759 2.603248 -0.000266
H -0.707922 -1.705081 -0.000497
H 4.182324 1.040386 -0.000076
H -4.608921 0.163429 0.894927
H -4.609653 0.163080 -0.893946
H -5.965763 -1.800712 0.001402
H -4.530360 -2.385689 -0.894519
H -4.529664 -2.385332 0.896442


