%chk=000221413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221413

0 1
Br 6.528549 -3.121680 -0.472799
O 5.312739 0.028434 0.590381
O 5.482373 -0.024530 -1.671985
C -2.149606 -0.263173 -0.001789
C -3.465394 0.507264 0.172299
C -0.935130 0.627318 0.293793
C -4.679719 -0.383251 -0.123777
C 0.379746 -0.144410 0.119430
C -5.995880 0.386685 0.050084
C 1.594494 0.745921 0.414772
C -7.209847 -0.504119 -0.245490
C 2.904484 -0.030376 0.242230
C -8.527352 0.264624 -0.071764
C 4.109120 0.860359 0.524374
C -9.739067 -0.617153 -0.365699
C 5.881290 -0.377391 -0.591044
C 7.052840 -1.261676 -0.265095
H -2.081474 -0.662917 -1.032113
H -2.140164 -1.146901 0.665034
H -3.534438 0.906932 1.202368
H -3.475510 1.390662 -0.494942
H -0.945490 1.510163 -0.374389
H -1.004421 1.027439 1.323693
H -4.670153 -1.266990 0.542947
H -4.611235 -0.782819 -1.154024
H 0.447798 -0.544009 -0.911435
H 0.388848 -1.028739 0.785732
H -6.064575 0.786674 1.080043
H -6.005963 1.269858 -0.617394
H 1.523082 1.147482 1.444407
H 1.585280 1.625866 -0.258479
H -7.142830 -0.904620 -1.275252
H -7.201222 -1.387981 0.420811
H 2.926256 -0.912106 0.914169
H 2.977749 -0.440430 -0.787399
H -8.538002 1.148485 -0.739179
H -8.597041 0.663513 0.959142
H 4.255860 1.640275 -0.242531
H 4.103776 1.299817 1.538070
H -9.780387 -1.482890 0.304968
H -10.674094 -0.059979 -0.240242
H -9.720281 -0.999562 -1.392574
H 7.404863 -1.117083 0.777542
H 7.898628 -1.058585 -0.952993


%chk=000221413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221413

0 1
Br 6.739425 -3.108377 -0.342657
O 5.451210 0.007651 0.647915
O 5.641039 0.129679 -1.681215
C -2.167052 -0.282277 -0.015338
C -3.498746 0.484813 0.145173
C -0.922952 0.589589 0.266726
C -4.745549 -0.379796 -0.147265
C 0.407925 -0.186470 0.150459
C -6.076236 0.383885 0.037678
C 1.648963 0.696137 0.413460
C -7.325435 -0.476012 -0.258692
C 2.973369 -0.100587 0.346877
C -8.654849 0.288944 -0.066278
C 4.184035 0.806597 0.597054
C -9.898801 -0.576216 -0.362884
C 6.048023 -0.284915 -0.571926
C 7.273562 -1.152679 -0.360756
H -2.101378 -0.693231 -1.044453
H -2.164508 -1.157067 0.668556
H -3.566619 0.886505 1.178108
H -3.498256 1.366161 -0.530329
H -0.910931 1.448134 -0.437257
H -1.004897 1.024366 1.285116
H -4.738833 -1.269301 0.517411
H -4.686998 -0.768634 -1.185513
H 0.486412 -0.635554 -0.861098
H 0.401551 -1.033599 0.867723
H -6.135406 0.768690 1.077593
H -6.081316 1.276256 -0.623272
H 1.551936 1.173316 1.411166
H 1.672366 1.520699 -0.329081
H -7.270988 -0.857335 -1.300047
H -7.320647 -1.370629 0.399195
H 2.962995 -0.908396 1.103696
H 3.073113 -0.578051 -0.646125
H -8.659007 1.182186 -0.724255
H -8.707547 0.670352 0.974094
H 4.284239 1.572032 -0.193975
H 4.142587 1.284017 1.589709
H -9.937815 -1.457078 0.305780
H -10.834466 -0.004075 -0.222354
H -9.883330 -0.948266 -1.404893
H 7.747923 -0.968756 0.612105
H 7.970391 -1.048308 -1.202026


