%chk=000259568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259568

0 1
Br 4.152545 -2.439147 0.019950
O 1.022468 0.466381 0.015027
N 0.538407 -1.735523 -0.006272
N 1.892339 -1.622096 0.006408
C -3.774029 -0.488353 -0.034171
C -4.036563 0.907162 -0.025649
C -1.382125 -0.038166 -0.009842
C -2.421744 -0.947438 -0.025944
C -2.937456 1.825271 -0.008961
C -1.645562 1.369430 -0.001234
C -0.010211 -0.512607 -0.001564
C -4.872498 -1.406984 -0.050859
C -5.393578 1.361356 -0.033956
C 2.192334 -0.301530 0.019260
C 3.508150 0.304968 0.035459
C -6.163738 -0.943348 -0.058520
C -6.427081 0.458439 -0.049956
C 4.599626 -0.592437 0.038116
C 3.741602 1.686120 0.048156
C 5.909666 -0.124139 0.053228
C 5.058177 2.156082 0.063329
C 6.132572 1.259212 0.065849
H -2.222620 -2.023397 -0.032544
H -3.150470 2.894122 -0.002538
H -0.799859 2.058727 0.011474
H -4.659733 -2.476006 -0.057285
H -5.586591 2.433192 -0.027335
H -7.006032 -1.633989 -0.071210
H -7.463342 0.795251 -0.056376
H 2.899287 2.379397 0.046108
H 6.749844 -0.820166 0.055242
H 5.247930 3.229643 0.073262
H 7.155584 1.637772 0.077750


%chk=000259568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259568

0 1
Br 4.903488 -2.609336 0.021892
O 1.098188 0.309057 0.014360
N 0.399836 -1.860490 -0.007933
N 1.833781 -1.852856 0.004957
C -3.786190 -0.457010 -0.033881
C -4.023578 0.974605 -0.025766
C -1.357929 -0.049524 -0.010102
C -2.443613 -0.941712 -0.025791
C -2.895264 1.861401 -0.009884
C -1.593350 1.369455 -0.002160
C -0.001255 -0.580502 -0.002004
C -4.910760 -1.349428 -0.049781
C -5.372885 1.455527 -0.033846
C 2.225931 -0.571514 0.017740
C 3.548670 0.050957 0.034067
C -6.214531 -0.850753 -0.057350
C -6.447613 0.562515 -0.049317
C 4.785698 -0.660222 0.038003
C 3.609675 1.479753 0.047183
C 6.017511 0.030361 0.054154
C 4.834365 2.166825 0.063358
C 6.047236 1.440421 0.066894
H -2.249013 -2.019897 -0.031756
H -3.072170 2.943155 -0.003832
H -0.738432 2.052001 0.009946
H -4.729199 -2.430456 -0.055865
H -5.551446 2.537278 -0.027684
H -7.066717 -1.538584 -0.069477
H -7.475982 0.939827 -0.055418
H 2.668114 2.035127 0.044345
H 6.949999 -0.540909 0.056722
H 4.844396 3.261238 0.073160
H 7.010335 1.960889 0.079467


