%chk=000181582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181582

0 1
Br 4.265916 2.233084 0.817672
O -0.011208 -2.118848 0.692691
O -2.406269 1.176537 0.840581
O 0.985464 -2.049335 -1.347819
O -2.044985 -0.347324 -0.794403
C 0.869119 -0.059000 0.044432
C -0.180495 0.857718 0.212032
C 2.197992 0.348255 0.221167
C 0.104661 2.184082 0.570901
C 0.635695 -1.490855 -0.338693
C -1.600962 0.455318 -0.008881
C 2.458863 1.674596 0.574044
C 1.426505 2.598543 0.753584
C -0.382131 -3.527019 0.512581
C -3.853397 0.956128 0.760782
C 0.835288 -4.408748 0.686057
C -4.417552 1.668017 -0.449455
H 3.014307 -0.366406 0.076834
H -0.718872 2.891163 0.715079
H 1.641550 3.632326 1.033766
H -1.127787 -3.641873 1.320743
H -0.855543 -3.635999 -0.479889
H -4.040435 -0.132383 0.742133
H -4.177140 1.396560 1.721889
H 0.559897 -5.469629 0.719906
H 1.542839 -4.278969 -0.147420
H 1.376798 -4.174039 1.611414
H -5.513741 1.631179 -0.461109
H -4.118631 2.723261 -0.477855
H -4.065247 1.204358 -1.384263


%chk=000181582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181582

0 1
Br 4.353915 2.416853 0.430454
O -0.047854 -2.133886 0.593680
O -2.441979 1.184586 0.922494
O 1.306932 -2.064700 -1.309339
O -1.980262 -0.453920 -0.675372
C 0.918663 -0.036533 -0.004388
C -0.155622 0.839803 0.322338
C 2.250324 0.440879 0.014514
C 0.135168 2.169262 0.718854
C 0.740985 -1.491403 -0.349019
C -1.581089 0.425117 0.125042
C 2.506439 1.770321 0.400683
C 1.462002 2.642835 0.769945
C -0.364170 -3.573212 0.328550
C -3.905373 0.925764 0.748263
C 0.718407 -4.482240 0.915933
C -4.468230 1.745447 -0.416260
H 3.064272 -0.233281 -0.265319
H -0.693292 2.834865 0.973674
H 1.674550 3.670989 1.074813
H -1.339968 -3.713841 0.819843
H -0.463868 -3.710754 -0.761970
H -4.050849 -0.156390 0.585293
H -4.335318 1.227272 1.716576
H 0.421321 -5.540420 0.792973
H 1.679807 -4.332098 0.397325
H 0.856464 -4.285886 1.993207
H -5.563187 1.602321 -0.475067
H -4.269738 2.822045 -0.275448
H -4.027952 1.420901 -1.373770


