%chk=000231623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231623

0 1
Br 0.429432 -3.176020 -1.683456
O -5.150091 -0.644366 2.179645
N -3.476014 0.369443 0.227624
N -4.843268 0.428990 0.091498
N -7.002077 -0.077742 0.939171
C 2.980582 0.354884 0.158590
C 3.791556 1.469473 0.765600
C 5.300378 1.322527 0.531266
C 5.755460 -0.105005 0.846967
C 5.046017 -1.104437 -0.074203
C 3.569909 -0.841896 -0.205111
C 1.560045 0.535732 -0.009136
C 0.765338 -0.514018 -0.549643
C 2.775312 -1.893355 -0.760189
C 1.427273 -1.725742 -0.923313
C 0.908558 1.757529 0.360868
C -0.644208 -0.326515 -0.696463
C -1.230800 0.866384 -0.341435
C -0.442013 1.925804 0.199525
C -2.691676 1.088228 -0.525120
C -3.083683 2.102678 -1.557619
C -5.598309 -0.157246 1.168757
H 3.457731 2.450816 0.368528
H 3.584875 1.493365 1.858483
H 5.543902 1.572201 -0.520023
H 5.850888 2.050116 1.155981
H 5.534724 -0.346358 1.905379
H 6.851392 -0.196290 0.732999
H 5.218834 -2.135598 0.297437
H 5.500359 -1.068418 -1.088283
H 3.269579 -2.824228 -1.045962
H 1.507783 2.566034 0.781340
H -1.263024 -1.140924 -1.082207
H -0.932329 2.853660 0.490842
H -2.204604 2.578540 -2.018694
H -3.691382 2.911089 -1.130091
H -3.648951 1.639914 -2.379246
H -5.282549 1.171281 -0.467300
H -7.363948 -0.089645 -0.002439
H -7.567501 -0.622587 1.584336


%chk=000231623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231623

0 1
Br 0.104315 -3.404868 -0.344274
O -5.208281 -2.012993 0.095999
N -3.460258 0.187401 -0.041687
N -4.829657 0.319567 -0.101505
N -7.007672 -0.530130 0.014156
C 3.051651 0.386455 0.071950
C 3.999818 1.578934 0.191166
C 5.480993 1.223002 -0.067996
C 5.869763 -0.076817 0.665136
C 5.034247 -1.249949 0.113689
C 3.544445 -0.928760 0.032226
C 1.623227 0.608898 0.015570
C 0.691917 -0.503588 -0.114991
C 2.632902 -2.030421 -0.091987
C 1.263416 -1.823019 -0.170989
C 1.056979 1.924040 0.093989
C -0.708692 -0.253322 -0.183143
C -1.236511 1.050328 -0.120426
C -0.318815 2.143327 0.028683
C -2.707152 1.267525 -0.196035
C -3.290364 2.651565 -0.449128
C -5.644127 -0.839354 0.013490
H 3.691472 2.374417 -0.514636
H 3.900993 2.017472 1.206933
H 5.646335 1.085360 -1.155595
H 6.123981 2.064148 0.252738
H 5.680711 0.042395 1.750780
H 6.948209 -0.289631 0.541794
H 5.179354 -2.155429 0.734046
H 5.401946 -1.512014 -0.901057
H 3.035240 -3.048561 -0.122402
H 1.720579 2.784499 0.219819
H -1.406106 -1.089501 -0.282628
H -0.691077 3.169342 0.116511
H -2.517548 3.377530 -0.737555
H -3.808307 3.050397 0.446718
H -4.023846 2.626021 -1.280967
H -5.275813 1.235927 -0.240151
H -7.385611 0.415025 0.025239
H -7.649157 -1.316916 0.071421


