%chk=000108814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108814

0 1
 Br   3.801400       2.707900     -0.9177000    
 Cl   3.796000      -2.361600       1.475200    
 O   -5.577900      -4.245200     -0.9328000    
 O   -4.942000       4.448700       1.115500    
 O   -5.784000      -3.419800       1.211300    
 O   -5.649800       3.643900     -0.9272000    
 O    8.733700      -1.185800      0.3201000    
 O    8.765400      0.7969000     -0.6216000    
 N   -3.553100      2.0900000E-02 -6.0300000E-02
 N    2.010700     -0.3013000     -0.5902000    
 N    2.565500      0.1742000      0.4283000    
 N    8.145300     -0.1581000     -9.4400004E-02
 C   -4.298400      -1.086700      0.5390000    
 C   -4.286200       1.179400     -0.5160000    
 C   -2.160600     -6.0899999E-02 -0.1942000    
 C   -4.572000      -2.173900     -0.4941000    
 C   -4.243700       2.289500      0.5281000    
 C   -1.444700      0.9899000     -0.7787000    
 C   -1.472600      -1.192800      0.2566000    
 C  -5.8400001E-02  0.9096000     -0.9107000    
 C  -8.6300001E-02  -1.272900      0.1247000    
 C   -5.375500      -3.330400      6.1799999E-02
 C   -5.029800       3.517300      0.1196000    
 C   0.6207000     -0.2217000     -0.4590000    
 C   -6.339700      -5.399200     -0.5634000    
 C   -5.650200       5.670300      0.8813000    
 C    3.962400      9.3900003E-02  0.2961000    
 C    4.671700       1.143500     -0.2862000    
 C    4.637000      -1.039200      0.7489000    
 C    6.733900     -7.3399998E-02  3.6699999E-02
 C    6.058000       1.059800     -0.4160000    
 C    6.023400      -1.122700      0.6192000    
 H   -3.816600      -1.478700       1.442500    
 H   -5.263700     -0.7118000      0.9074000    
 H   -3.952200       1.528400      -1.500700    
 H   -5.337200      0.9061000     -0.6849000    
 H   -5.137400      -1.746200      -1.331100    
 H   -3.636800      -2.581100     -0.8924000    
 H   -4.667900       1.920000       1.469900    
 H   -3.213500       2.605400      0.7231000    
 H   -1.914000       1.895400      -1.148000    
 H   -1.959800      -2.045500      0.7165000    
 H   0.4828000       1.733300      -1.368600    
 H   0.4343000      -2.159200      0.4782000    
 H   -6.427300      -6.044200      -1.441800    
 H   -7.343300      -5.103800     -0.2431000    
 H   -5.827700      -5.953000      0.2293000    
 H   -5.499000       6.322000       1.746000    
 H   -6.720900       5.472500      0.7735000    
 H   -5.257400       6.170900     -8.7000001E-03
 H    6.596400       1.887700     -0.8724000    
 H    6.532100      -2.014900      0.9785000    


%chk=000108814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108814

0 1
Br 4.198520 1.252261 -2.933695
Cl 3.993437 -1.029016 2.339487
O -5.912362 -4.187888 -1.246901
O -4.939555 4.438557 1.325639
O -6.452554 -3.195319 0.791658
O -5.871566 3.490816 -0.588934
O 9.070135 -0.182219 1.180758
O 9.200447 0.762450 -0.897215
N -3.548236 -0.089644 0.049688
N 2.076927 -0.770368 -0.019513
N 2.837434 0.236473 -0.381981
N 8.531123 0.265712 0.092770
C -4.436303 -1.192966 0.470219
C -4.215075 1.166307 -0.351099
C -2.164602 -0.232540 0.021151
C -4.773164 -2.153520 -0.695755
C -4.305175 2.185785 0.810665
C -1.308833 0.873441 -0.331288
C -1.535559 -1.484856 0.340736
C 0.077999 0.735303 -0.359569
C -0.144347 -1.613881 0.314156
C -5.791519 -3.200598 -0.273248
C -5.121589 3.404870 0.411677
C 0.690736 -0.514239 -0.033561
C -6.907107 -5.256549 -0.967868
C -5.718369 5.678282 1.067799
C 4.230522 0.098626 -0.249570
C 5.056390 0.629333 -1.293509
C 4.915924 -0.379059 0.916303
C 7.062764 0.207642 -0.026017
C 6.450907 0.684177 -1.207817
C 6.309495 -0.321870 1.043439
H -3.987220 -1.749385 1.310483
H -5.373179 -0.760770 0.861471
H -3.701483 1.616072 -1.218123
H -5.235555 0.927949 -0.696473
H -5.195590 -1.585151 -1.547226
H -3.870867 -2.657403 -1.084901
H -4.793113 1.717304 1.687866
H -3.306659 2.508472 1.153127
H -1.741336 1.846417 -0.579213
H -2.136875 -2.357849 0.605470
H 0.721071 1.578680 -0.631222
H 0.336292 -2.566817 0.558020
H -6.852205 -5.922271 -1.839801
H -7.913959 -4.819749 -0.861167
H -6.641457 -5.790027 -0.040193
H -5.453618 6.350264 1.895309
H -6.798166 5.454969 1.063249
H -5.431634 6.110398 0.094786
H 7.069765 1.075705 -2.017720
H 6.820043 -0.678911 1.940750


