%chk=000178886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178886

0 1
 Br   6.009900      -1.666100     -0.1686000    
 O   3.9900001E-02  -3.140300      0.2324000    
 O   -4.387400      0.5621000      5.3100001E-02
 O   -1.933000      -3.129500     -0.9352000    
 O   -3.991200      -1.677000     -0.2387000    
 N  -0.4360000      0.9971000      0.1402000    
 N   -1.777900       1.070500      0.1398000    
 C   5.0900001E-02 -0.2691000     -2.3900000E-02
 C   -1.056100      -1.078700     -0.1389000    
 C   0.3151000       2.163000      0.2999000    
 C    1.454900     -0.5990000     -5.7799999E-02
 C   -2.151100     -0.2005000     -3.0999999E-02
 C   0.6923000       2.893200     -0.8191000    
 C   0.6745000       2.575600       1.575900    
 C    1.442700       4.058000     -0.6590000    
 C   -1.049000      -2.500100     -0.3266000    
 C    2.125900     -0.9159000       1.123400    
 C    2.141700     -0.5997000      -1.271700    
 C   -3.549000     -0.5258000     -8.3899997E-02
 C    1.424800       3.740500       1.735900    
 C    1.809000       4.481600      0.6186000    
 C    3.483700      -1.233600       1.090600    
 C    3.499400     -0.9175000      -1.304600    
 C    1.854100       4.850700      -1.853400    
 C    4.170600      -1.234400     -0.1235000    
 C   0.1099000      -4.562800      8.2199998E-02
 C   -5.796300      0.3088000      9.3999999E-03
 C    1.366100      -5.068900      0.7584000    
 C   -6.538000       1.617800      0.1761000    
 H   0.4053000       2.564100      -1.815400    
 H   0.3813000       2.006700       2.454600    
 H    1.604600     -0.9201000       2.077800    
 H    1.633100     -0.3548000      -2.201200    
 H    1.709800       4.070400       2.730700    
 H    2.392100       5.388200      0.7568000    
 H    3.991300      -1.478800       2.019900    
 H    4.019900     -0.9136000      -2.258900    
 H    2.785300       5.396200      -1.666200    
 H    2.033000       4.199100      -2.715500    
 H    1.072500       5.571400      -2.113200    
 H   0.1346000      -4.814300     -0.9836000    
 H  -0.7713000      -5.020500      0.5447000    
 H   -6.067300     -0.3776000      0.8191000    
 H   -6.054100     -0.1443000     -0.9541000    
 H    1.365300      -4.803900       1.820900    
 H    2.254300      -4.605000      0.3166000    
 H    1.450800      -6.155000      0.6646000    
 H   -6.261500       2.321000     -0.6164000    
 H   -6.274300       2.091500       1.127500    
 H   -7.619900       1.460800      0.1475000    


%chk=000178886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178886

0 1
Br 5.662178 -2.809938 0.274077
O -0.730006 -2.563998 -0.330597
O -3.997427 -0.408300 -0.180844
O -2.305560 -2.319599 1.373118
O -4.263039 1.656322 0.880424
N -0.022819 1.573958 0.405159
N -1.368864 1.927986 0.398952
C 0.164027 0.186030 0.444142
C -1.131743 -0.372599 0.487248
C 0.949686 2.640504 0.412255
C 1.477316 -0.492266 0.410922
C -2.038068 0.740425 0.456854
C 0.662464 3.808785 -0.327828
C 2.136095 2.535285 1.174800
C 1.570667 4.894903 -0.334286
C -1.475210 -1.813220 0.581714
C 1.801131 -1.456708 1.399574
C 2.414943 -0.227861 -0.621148
C -3.525575 0.750093 0.432320
C 3.048221 3.610639 1.157580
C 2.773828 4.776849 0.408298
C 3.032458 -2.145361 1.367087
C 3.650658 -0.906702 -0.666562
C 1.244199 6.163214 -1.102456
C 3.945307 -1.860031 0.330813
C -0.955748 -4.042081 -0.298836
C -5.477972 -0.610339 -0.154758
C 0.008382 -4.652221 -1.310741
C -5.732482 -2.018557 -0.681665
H -0.281731 3.865867 -0.877949
H 2.337858 1.647214 1.778969
H 1.090887 -1.666337 2.206885
H 2.177106 0.501499 -1.402060
H 3.971631 3.540709 1.742263
H 3.491474 5.605393 0.408126
H 3.274658 -2.883624 2.136528
H 4.365203 -0.699422 -1.467839
H 2.141277 6.788199 -1.252009
H 0.813353 5.937638 -2.094242
H 0.499577 6.773285 -0.556164
H -2.015119 -4.232236 -0.550483
H -0.777811 -4.401516 0.731251
H -5.944108 0.172613 -0.780374
H -5.825727 -0.476544 0.885326
H 1.054641 -4.423314 -1.044442
H -0.185698 -4.261570 -2.324128
H -0.114730 -5.750515 -1.330914
H -5.218933 -2.763272 -0.050202
H -5.368859 -2.124833 -1.718317
H -6.816797 -2.232947 -0.669643


