%chk=000191176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191176

0 1
Br -7.654150 -1.407880 -1.754549
O -0.026515 2.978545 -0.255902
O 0.049881 0.736441 0.420325
O 3.925392 3.016999 0.762331
O 2.951246 1.781935 -1.495548
O 1.747996 2.569575 2.645016
O -0.706115 2.366465 -3.122422
O -0.647858 -3.152514 1.271151
O 3.432531 -0.559997 0.596768
N 1.016565 -1.733422 0.565048
C 2.530032 3.177852 0.503186
C 2.359082 2.982880 -1.020259
C 1.727353 2.117691 1.288239
C 0.860097 3.045075 -1.402436
C 0.254473 2.122175 0.816881
C 0.474969 1.967238 -2.429120
C -1.219467 0.272930 0.130971
C -1.363255 -1.148070 0.235418
C -2.252093 1.094229 -0.264921
C -3.511319 0.522978 -0.604815
C -3.677812 -0.887269 -0.529741
C -2.587567 -1.698086 -0.095790
C -0.323136 -2.096173 0.749907
C -4.614349 1.334309 -1.028626
C -4.939002 -1.467837 -0.880088
C -5.815153 0.761391 -1.360770
C -5.966212 -0.654382 -1.282136
C 2.137445 -2.497072 1.019107
C 3.428129 -1.886223 1.012733
C 2.034817 -3.822810 1.456963
C 4.561481 -2.588169 1.416556
C 3.175423 -4.524112 1.868190
C 4.427921 -3.915748 1.846737
C 4.731016 0.050465 0.367819
H 2.216947 4.203138 0.816655
H 2.948892 3.756351 -1.576407
H 2.191051 1.100078 1.212750
H 0.579516 4.058888 -1.788835
H -0.482870 2.422554 1.593723
H 0.329219 0.979767 -1.957042
H 1.236613 1.888490 -3.234171
H 4.096388 3.179047 1.723190
H 2.678509 0.995656 -0.960358
H 1.664177 1.804820 3.260637
H -1.486754 2.291098 -2.527094
H -2.122376 2.176400 -0.324181
H -2.730638 -2.784331 -0.008139
H -4.480310 2.415058 -1.079929
H -5.055124 -2.552543 -0.818284
H -6.659632 1.374188 -1.685387
H 1.245556 -0.827350 0.138056
H 1.054409 -4.316642 1.482746
H 5.544053 -2.124701 1.407268
H 3.071840 -5.554922 2.204890
H 5.312029 -4.466510 2.164603
H 5.262310 -0.483580 -0.424189
H 5.303130 0.084683 1.297525
H 4.457417 1.073953 0.040149


%chk=000191176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191176

0 1
Br -7.902050 -1.370602 -1.339035
O 0.028650 2.938453 -0.661567
O 0.052584 0.784298 0.473227
O 3.869331 3.362565 0.855158
O 3.117120 1.373083 -1.221997
O 1.511909 3.256816 2.481096
O -0.542189 1.964680 -3.335528
O -0.631274 -3.436320 0.480597
O 3.399501 -0.485914 0.982578
N 0.990674 -1.754756 0.681129
C 2.512019 3.300435 0.314511
C 2.542882 2.712586 -1.109589
C 1.605029 2.472968 1.238938
C 1.110020 2.826900 -1.711964
C 0.214637 2.261985 0.588655
C 0.750349 1.704531 -2.700151
C -1.234641 0.272435 0.158851
C -1.378850 -1.165359 0.178415
C -2.317062 1.106438 -0.144940
C -3.608259 0.557276 -0.421436
C -3.777967 -0.877562 -0.394353
C -2.648290 -1.694017 -0.097177
C -0.308369 -2.204510 0.464031
C -4.738996 1.382151 -0.730002
C -5.066101 -1.445945 -0.670923
C -5.988200 0.817149 -0.996966
C -6.135164 -0.603888 -0.962054
C 2.136890 -2.559956 0.916435
C 3.400882 -1.906497 1.073317
C 2.097362 -3.977891 1.000344
C 4.573582 -2.653741 1.308046
C 3.275095 -4.718544 1.234929
C 4.512956 -4.063345 1.389688
C 4.703545 0.182192 1.217053
H 2.079859 4.321394 0.248959
H 3.219964 3.331849 -1.721666
H 2.066267 1.487781 1.445189
H 1.000487 3.795678 -2.230652
H -0.585688 2.656026 1.241787
H 0.772096 0.717443 -2.201334
H 1.488450 1.689757 -3.517904
H 3.797379 3.767733 1.758870
H 2.852751 0.749143 -0.490770
H 1.245197 2.670110 3.232496
H -1.240653 1.953789 -2.631336
H -2.191611 2.191514 -0.192641
H -2.739159 -2.785461 -0.071507
H -4.621099 2.471367 -0.755945
H -5.190982 -2.532715 -0.650381
H -6.849301 1.448891 -1.231901
H 1.123109 -0.735145 0.672940
H 1.134558 -4.473883 0.877016
H 5.537735 -2.153359 1.423292
H 3.215828 -5.810097 1.294604
H 5.430061 -4.633652 1.569990
H 5.435142 -0.132536 0.452000
H 5.073305 -0.061950 2.229597
H 4.514898 1.261228 1.114379


