%chk=000198515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198515

0 1
Br 5.391731 1.203832 2.078540
O 0.183607 -1.244423 1.827078
O 0.366682 2.522959 0.341600
O -1.219147 0.524631 -0.641576
O 1.119227 -1.872027 -0.180839
O -3.066019 -1.999605 0.662318
O 3.467909 0.925588 -1.386748
O -0.478249 3.605143 2.138291
O -2.581208 2.335449 -0.704232
O 2.663473 -3.374416 0.510465
O -3.630813 -1.437194 -1.461196
N 2.780322 0.912981 0.801220
C 0.320204 1.267379 1.064381
C 1.440806 0.401762 0.453956
C -1.059041 0.626223 0.796375
C -1.112856 -0.814221 1.354789
C 1.309986 -1.048093 0.996776
C -1.643428 -1.871526 0.376740
C 3.701651 1.166152 -0.217701
C -0.177045 3.642687 0.971302
C -2.047950 1.426879 -1.295429
C 1.859906 -3.041597 -0.322297
C 5.028543 1.724402 0.245369
C -0.278714 4.735004 -0.024565
C -2.127098 1.023186 -2.718952
C -3.974129 -1.734914 -0.340517
C 1.476000 -3.687842 -1.602752
C -5.346376 -1.895295 0.209257
H 0.459386 1.460910 2.154949
H 1.315523 0.387867 -0.677167
H -1.879489 1.262936 1.209298
H -1.698018 -0.842441 2.310694
H 2.155001 -1.422729 1.621356
H -1.467160 -1.619371 -0.688900
H -1.222963 -2.867891 0.608365
H 2.902750 1.235506 1.760634
H 5.847271 1.344303 -0.401812
H 5.044790 2.829093 0.171225
H -1.270102 4.689370 -0.520303
H -0.190062 5.723889 0.449608
H 0.476106 4.655611 -0.823038
H -2.739501 0.099153 -2.817362
H -2.593370 1.804361 -3.335828
H -1.139062 0.781530 -3.142301
H 1.176329 -4.735626 -1.442387
H 2.329839 -3.697477 -2.302185
H 0.646471 -3.166492 -2.109291
H -5.880830 -0.930668 0.211809
H -5.937825 -2.590889 -0.407672
H -5.346856 -2.277046 1.243753


%chk=000198515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198515

0 1
Br 5.184129 2.377927 2.340365
O 0.406343 -1.410123 1.786775
O 0.288828 2.489857 0.332520
O -1.137434 0.176187 -0.683549
O 1.142511 -1.891507 -0.451637
O -3.230238 -1.617588 0.993552
O 3.710759 0.930820 -1.343393
O -0.871014 3.334231 2.172293
O -2.642747 1.954416 -0.879204
O 2.847698 -3.405401 0.100252
O -3.606765 -1.970105 -1.288737
N 2.786811 0.969718 0.802181
C 0.326137 1.173731 1.006230
C 1.502540 0.391725 0.396326
C -0.998765 0.427615 0.771839
C -0.975552 -0.917389 1.532023
C 1.407775 -1.119990 0.791781
C -1.804630 -2.028953 0.865680
C 3.786889 1.210303 -0.107294
C -0.419173 3.503338 1.019511
C -2.002218 1.019804 -1.409953
C 1.942040 -3.043774 -0.676174
C 5.092939 1.842027 0.376624
C -0.554764 4.728223 0.154758
C -2.040705 0.589577 -2.853776
C -4.022489 -1.605291 -0.166394
C 1.540690 -3.694560 -1.977386
C -5.398466 -1.064847 0.147880
H 0.447157 1.324255 2.097031
H 1.452127 0.454735 -0.703913
H -1.850288 1.044787 1.105581
H -1.367436 -0.742227 2.549621
H 2.350201 -1.486634 1.231816
H -1.543086 -2.167835 -0.194164
H -1.683545 -2.966646 1.431591
H 2.939177 1.237246 1.779992
H 5.922135 1.133975 0.228468
H 5.281869 2.765235 -0.190419
H -1.419596 4.578051 -0.518251
H -0.742820 5.612774 0.780947
H 0.340019 4.875353 -0.469988
H -2.545220 -0.391731 -2.917147
H -2.591974 1.329641 -3.451207
H -1.017364 0.465015 -3.245036
H 2.018284 -4.681074 -2.063835
H 1.866242 -3.058503 -2.820139
H 0.444213 -3.789890 -2.042213
H -5.371812 0.039626 0.097192
H -6.120406 -1.429895 -0.597725
H -5.712805 -1.349228 1.163801


