%chk=000258822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258822

0 1
Br 2.271402 -0.448370 -2.504682
Br 6.570954 1.189537 2.192892
O -0.628679 -1.114666 -2.124965
O 0.949993 0.880940 0.998940
N -0.295128 -1.412317 0.147081
N 1.089602 -1.195145 0.056084
C -3.087747 0.059769 0.033699
C -4.484410 0.091253 0.296425
C -2.560588 -1.063503 -0.686195
C -2.274671 1.147252 0.488493
C -5.315763 -0.979225 -0.161316
C -3.383575 -2.076437 -1.126402
C -5.038975 1.198725 1.015272
C -4.779211 -2.034726 -0.856223
C -1.102673 -1.138908 -1.010958
C -2.834524 2.195551 1.174139
C -4.234358 2.223251 1.443853
C 3.092735 0.190626 0.133610
C 1.632413 0.044381 0.435813
C 3.549573 0.034090 -1.184535
C 3.988074 0.544722 1.147157
C 5.336825 0.723702 0.818917
C 4.891732 0.226983 -1.505499
C 5.795876 0.572051 -0.491849
H -1.197945 1.148967 0.286664
H -6.384755 -0.937491 0.050698
H -2.978396 -2.920387 -1.688706
H -6.110474 1.209239 1.211366
H -5.407206 -2.850269 -1.212920
H -2.214983 3.023352 1.522027
H -4.646616 3.069853 1.991116
H -0.674022 -1.131365 1.070133
H 1.587167 -1.927695 -0.460725
H 3.628343 0.686336 2.171448
H 5.241830 0.113416 -2.534143
H 6.850981 0.722007 -0.735509


%chk=000258822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258822

0 1
Br 3.152769 -1.086831 -2.830412
Br 6.654843 1.371267 2.359401
O -0.874135 -1.344128 -2.268050
O 1.502421 0.505928 1.418201
N -0.341697 -0.383908 -0.248840
N 1.004453 -0.409218 -0.617910
C -3.339566 0.135218 0.098285
C -4.710511 -0.082837 0.530629
C -2.707406 -0.893621 -0.703918
C -2.716172 1.382762 0.449582
C -5.406345 -1.268272 0.125155
C -3.442620 -2.017696 -1.114351
C -5.363065 0.905740 1.339588
C -4.792064 -2.209425 -0.702112
C -1.276111 -0.874084 -1.150663
C -3.383632 2.330434 1.229862
C -4.712140 2.086832 1.696440
C 3.392125 0.067327 -0.056131
C 1.921204 0.068351 0.287725
C 4.060687 -0.350894 -1.241198
C 4.203652 0.577573 1.000352
C 5.595740 0.661667 0.873753
C 5.465380 -0.263062 -1.361713
C 6.248139 0.244510 -0.304553
H -1.718962 1.621497 0.068744
H -6.438081 -1.415905 0.465651
H -2.947112 -2.755240 -1.753605
H -6.393576 0.719484 1.664730
H -5.334312 -3.103466 -1.026165
H -2.886984 3.274654 1.477684
H -5.219174 2.835616 2.314003
H -0.501330 -0.077182 0.717768
H 1.180032 -0.801630 -1.553352
H 3.677935 0.896621 1.905477
H 5.953671 -0.591756 -2.283044
H 7.334742 0.309171 -0.405811


