%chk=000051766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051766

0 1
 Br   3.701200       3.454000     -0.1305000    
 Br   5.247000      -1.865300       1.018700    
 O  -6.3600004E-02 -0.9677000      -1.511500    
 O    2.259400      -2.400700      0.3733000    
 O   0.9561000       2.084100     -0.5935000    
 N   -4.336000     -0.2937000      0.2673000    
 N  -0.6251000     -0.6302000      0.7144000    
 C   -2.916100      8.4600002E-02  0.2787000    
 C   -2.868600       1.184200       1.342000    
 C   -4.279900       1.759300       1.390000    
 C   -5.064900      0.9742000      0.3525000    
 C   -1.984700      -1.071800      0.6195000    
 C   -4.721800      -1.052700     -0.9161000    
 C   -6.192600      -1.414100     -0.8886000    
 C   0.2412000     -0.6130000     -0.3759000    
 C    1.627600     -0.1518000     -0.1070000    
 C    2.584100      -1.079500      0.2588000    
 C    1.923900       1.192100     -0.2312000    
 C    3.225900       1.625000      2.0600000E-02
 C    3.886200     -0.6469000      0.5104000    
 C    4.207100      0.7053000      0.3913000    
 C    2.400900      -3.203300     -0.7955000    
 C   0.7927000       2.328000      -1.987800    
 H   -2.628500      0.5261000     -0.6867000    
 H   -2.602500      0.7963000       2.332700    
 H   -2.137100       1.956800       1.080000    
 H   -4.288800       2.832600       1.174800    
 H   -4.704600       1.613600       2.390300    
 H   -5.057100       1.515100     -0.6028000    
 H   -6.102500      0.8476000      0.6770000    
 H   -2.247700      -1.520200       1.584500    
 H   -2.044000      -1.860400     -0.1380000    
 H   -4.154900      -1.989600     -0.9534000    
 H   -4.496700     -0.5052000      -1.840200    
 H  -0.2837000     -0.3199000       1.619800    
 H   -6.465800      -1.912700      4.7699999E-02
 H   -6.837900     -0.5397000      -1.018800    
 H   -6.420100      -2.105000      -1.707800    
 H    5.222600       1.042800      0.5877000    
 H    2.558800      -4.238900     -0.4813000    
 H    1.484700      -3.160000      -1.390400    
 H    3.253200      -2.891800      -1.408500    
 H   0.1392000       1.568900      -2.426000    
 H    1.751000       2.339700      -2.517500    
 H   0.3161000       3.304700      -2.109600    


%chk=000051766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051766

0 1
Br 3.976239 3.250589 0.189404
Br 5.460813 -2.330889 -0.140317
O -0.205612 -1.594354 -0.832996
O 2.354780 -2.706487 0.085679
O 1.103214 2.014388 0.361819
N -4.257703 -0.182205 0.043064
N -0.573489 -0.187897 0.982563
C -2.876847 0.385744 0.099347
C -3.060059 1.858479 0.575379
C -4.509714 1.907319 1.127556
C -5.245197 0.912336 0.207440
C -2.013689 -0.487507 1.054880
C -4.499422 -1.133535 -1.061379
C -5.777557 -1.967895 -0.858086
C 0.232250 -0.760671 0.025103
C 1.695914 -0.349138 0.057787
C 2.699991 -1.360894 -0.028283
C 2.080297 1.019757 0.139572
C 3.449257 1.372647 0.079938
C 4.064110 -0.967977 -0.075463
C 4.447792 0.386440 -0.028411
C 2.183071 -3.477242 -1.174859
C 0.518245 2.601181 -0.868020
H -2.388609 0.357888 -0.901516
H -2.304541 2.157031 1.324922
H -2.965571 2.549310 -0.283453
H -4.947417 2.919855 1.098092
H -4.543208 1.544794 2.170973
H -5.499614 1.400670 -0.768785
H -6.184801 0.537770 0.651263
H -2.358177 -0.347652 2.094895
H -2.152559 -1.547464 0.783559
H -3.627149 -1.811356 -1.120697
H -4.557174 -0.600541 -2.046720
H -0.185724 0.581653 1.534044
H -5.730622 -2.509986 0.102949
H -6.682653 -1.333715 -0.852206
H -5.889777 -2.705099 -1.674131
H 5.503222 0.666667 -0.058445
H 2.033115 -4.516682 -0.847743
H 1.291816 -3.098561 -1.701280
H 3.091904 -3.406000 -1.800702
H -0.005864 1.823898 -1.455617
H 1.306775 3.075591 -1.479509
H -0.196356 3.360641 -0.518210


