%chk=000048132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048132

0 1
 Br   3.522400      -1.566300      -1.497100    
 Br   6.396700      -1.497600      0.3612000    
 Br   6.009400       1.020000      -1.612800    
 Br   5.653500       1.426400       1.524000    
 O   0.1906000      -1.074300     -0.7206000    
 O    1.162300     -0.8193000       1.362500    
 O   -4.593800      0.1187000     -4.2100001E-02
 N  -0.4801000      -3.959300      -2.384300    
 C    2.252900       1.758900      0.6132000    
 C    2.956100      0.9881000     -0.4654000    
 C    1.472500      0.8482000     -0.2886000    
 C    3.833100     -0.1606000     -0.1230000    
 C    2.057600       3.227300      0.4430000    
 C    2.502400       1.345900       2.024000    
 C   0.9325000     -0.4370000      0.2240000    
 C    5.346600      0.1359000      4.2599998E-02
 C  -0.3729000      -2.328600     -0.3135000    
 C   -1.712300      -2.108800      0.3036000    
 C  -0.4261000      -3.240800      -1.474500    
 C   -2.536300      -1.084900     -0.1634000    
 C   -2.141300      -2.927500       1.348300    
 C   -3.789300     -0.8797000      0.4139000    
 C   -3.394300      -2.722500       1.925800    
 C   -4.218200      -1.698500       1.458600    
 C   -4.017500       1.358000     -0.2667000    
 C   -3.145100       1.902800      0.6753000    
 C   -4.309900       2.061300      -1.435300    
 C   -2.564800       3.150900      0.4487000    
 C   -3.729700       3.309300      -1.661800    
 C   -2.857000       3.854100     -0.7198000    
 H    3.260600       1.521100      -1.358100    
 H   0.8592000       1.315100      -1.055400    
 H    3.518300     -0.7210000      0.7579000    
 H    2.948400       3.777100      0.7650000    
 H    1.207000       3.574100       1.039700    
 H    1.863400       3.501300     -0.6000000    
 H    3.087100       2.113100       2.545400    
 H    2.984700      0.3933000       2.232700    
 H    1.544700       1.335500       2.561900    
 H   0.2951000      -2.802900      0.4189000    
 H   -2.214400     -0.4718000      -1.001700    
 H   -1.510200      -3.729800       1.721500    
 H   -3.728500      -3.360000       2.739100    
 H   -5.193200      -1.543300       1.912500    
 H   -2.915900       1.386300       1.603600    
 H   -4.988500       1.641400      -2.172600    
 H   -1.887700       3.576600       1.183600    
 H   -3.957200       3.856900      -2.571800    
 H   -2.405400       4.826000     -0.8960000    


%chk=000048132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048132

0 1
Br 4.411933 -1.648751 -1.769172
Br 6.964076 -2.656225 0.450123
Br 7.263581 0.320752 -0.916896
Br 6.492119 0.015416 2.248185
O 0.445907 -0.276952 -0.784216
O 1.796122 -1.606091 0.588043
O -4.981517 0.453217 0.632162
N -1.383488 -1.507828 -3.373005
C 3.206278 1.149430 1.261278
C 4.015953 0.544548 0.093279
C 2.472147 0.678484 -0.037894
C 4.689570 -0.810310 0.087682
C 3.331312 2.664615 1.428773
C 2.952068 0.412269 2.573788
C 1.599413 -0.520723 -0.015749
C 6.208633 -0.790116 0.396851
C -0.543573 -1.427812 -0.846775
C -1.650937 -1.223158 0.175947
C -1.006726 -1.460560 -2.243364
C -2.789737 -0.441866 -0.132611
C -1.507324 -1.812709 1.456043
C -3.776476 -0.244916 0.858818
C -2.511300 -1.614360 2.429959
C -3.646480 -0.830364 2.139725
C -5.078372 1.465147 -0.364092
C -4.082685 2.453856 -0.537257
C -6.281208 1.498064 -1.100264
C -4.300175 3.482010 -1.481262
C -6.486497 2.535676 -2.036251
C -5.497411 3.527600 -2.233508
H 4.551756 1.278182 -0.521159
H 2.117493 1.458454 -0.716308
H 4.196569 -1.538413 0.752025
H 4.210687 2.903893 2.055172
H 2.433859 3.076158 1.926353
H 3.453221 3.181239 0.459618
H 3.749654 0.649860 3.298431
H 2.898686 -0.681281 2.458882
H 1.990486 0.751313 3.002620
H 0.024161 -2.349713 -0.615334
H -2.912629 -0.011338 -1.131914
H -0.618210 -2.409807 1.683903
H -2.410507 -2.072829 3.419063
H -4.438368 -0.668120 2.876815
H -3.164225 2.427761 0.057763
H -7.031355 0.720188 -0.930024
H -3.533600 4.251824 -1.622308
H -7.417281 2.565259 -2.612859
H -5.658104 4.328129 -2.963078


