%chk=000273733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273733

0 1
Br 5.040602 -1.451300 -1.249645
O 2.898566 -2.023922 1.039024
O -2.645167 -2.025322 -1.728115
O -1.636756 1.938131 0.446849
O 5.542727 1.671430 0.648997
O 4.051871 1.737551 -1.057321
N -1.811403 -0.056151 -0.774373
C 1.983036 -0.566616 -0.541574
C 0.550475 -0.351003 -0.047890
C 2.967148 -0.647480 0.629997
C -0.406415 -0.173297 -1.236037
C 4.430114 -0.328800 0.231182
C -2.825313 -1.038821 -1.064578
C -2.300643 1.015770 0.051588
C -4.063496 -0.526532 -0.383412
C -3.753251 0.695304 0.276715
C 4.602012 1.112663 -0.187174
C -5.333053 -1.059769 -0.340700
C -4.711858 1.389534 0.981611
C 3.373402 -2.297724 2.370361
C -6.320343 -0.349406 0.383987
C -6.017690 0.844349 1.028081
C 5.889872 3.062827 0.407495
H 2.044248 -1.510815 -1.128455
H 2.286763 0.246451 -1.237994
H 0.491405 0.542993 0.608101
H 0.237454 -1.213826 0.575002
H 2.677235 0.019755 1.474633
H -0.144765 0.743965 -1.812586
H -0.341100 -1.041674 -1.934235
H 5.109203 -0.572227 1.088829
H -5.574568 -1.995855 -0.845852
H -4.478503 2.327077 1.487647
H 2.804507 -1.729749 3.111406
H 4.446243 -2.101017 2.448304
H 3.174207 -3.373565 2.470273
H -7.332610 -0.754004 0.431083
H -6.792272 1.378036 1.581023
H 4.983480 3.676544 0.379490
H 6.523844 3.303221 1.267455
H 6.437393 3.133876 -0.537691


%chk=000273733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273733

0 1
Br 4.989114 -1.363816 -1.384001
O 2.660111 -1.872053 1.053395
O -2.501763 -2.188557 -1.450399
O -2.025170 2.218432 0.144000
O 6.067161 1.393579 0.551987
O 4.135567 2.033092 -0.583016
N -1.929343 0.016550 -0.754723
C 1.919151 -0.226801 -0.536776
C 0.461122 -0.228487 -0.030736
C 2.916352 -0.502160 0.599525
C -0.524576 0.024872 -1.193216
C 4.412031 -0.294629 0.257238
C -2.807720 -1.097555 -0.909092
C -2.568929 1.114137 -0.110210
C -4.113568 -0.666641 -0.310365
C -3.971201 0.659035 0.166870
C 4.808449 1.155678 0.002052
C -5.326288 -1.361052 -0.191370
C -5.036965 1.335185 0.778460
C 3.233095 -2.214685 2.356989
C -6.411362 -0.686352 0.427559
C -6.269030 0.641274 0.904978
C 6.613754 2.758185 0.336822
H 2.054447 -1.010426 -1.305100
H 2.171257 0.745695 -0.996511
H 0.324180 0.562090 0.732840
H 0.237659 -1.201261 0.442153
H 2.713532 0.206221 1.443422
H -0.319397 1.006477 -1.658778
H -0.423626 -0.763411 -1.960963
H 5.061520 -0.702326 1.046379
H -5.424579 -2.385016 -0.565200
H -4.915340 2.360591 1.141369
H 2.993020 -1.443919 3.120109
H 4.332669 -2.354651 2.312167
H 2.767882 -3.170710 2.643344
H -7.374163 -1.196680 0.538454
H -7.124097 1.136664 1.377352
H 5.940166 3.511578 0.778066
H 7.590117 2.750168 0.839729
H 6.721361 2.952289 -0.743302


