%chk=000050508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050508

0 1
 Br  -1.340100       2.726900     -0.1443000    
 Br  -2.971300      -3.417600      0.3357000    
 O  -0.3427000      -2.275400      0.5060000    
 O    1.713700       2.776600      0.1869000    
 N    4.384700     -0.2229000     -0.1626000    
 C    3.579000      0.7167000      0.6161000    
 C    2.113100      0.4504000      0.4835000    
 C  -0.6272000     -5.0900001E-02  0.2341000    
 C   0.2936000      -1.071700      0.4465000    
 C    5.808400      7.1900003E-02 -5.5999998E-03
 C    4.005200     -0.1739000      -1.574300    
 C    1.666600     -0.8711000      0.5767000    
 C    1.220100       1.503800      0.2712000    
 C   -1.895900     -0.6844000      0.1616000    
 C  -0.1560000       1.270600      0.1439000    
 C   -1.667500      -2.030200      0.3322000    
 C   -3.205000     -0.1289000     -4.3699998E-02
 C    6.234000     -3.4699999E-02   1.449000    
 C    4.832800      -1.144800      -2.399200    
 C   -3.707000      1.1400000E-02  -1.337000    
 C   -3.972100      0.2692000       1.050700    
 C   -4.977700      0.5509000      -1.536300    
 C   -5.243000      0.8086000      0.8512000    
 C   -5.745700      0.9494000     -0.4424000    
 H    3.850100       1.734400      0.3149000    
 H    3.789200      0.6329000       1.688600    
 H    6.420000     -0.6651000     -0.5358000    
 H    6.071100       1.062200     -0.3984000    
 H    2.961200     -0.4645000      -1.727700    
 H    4.119400      0.8368000      -1.987900    
 H    2.333000      -1.707100      0.7559000    
 H    5.893000      0.8150000       2.048300    
 H    5.876500     -0.9620000       1.910000    
 H    7.328100     -4.0399998E-02   1.511700    
 H    5.852400     -0.7871000      -2.573000    
 H    4.873200      -2.138500      -1.939900    
 H    4.376200      -1.263900      -3.388600    
 H   -3.121000     -0.2935000      -2.200800    
 H   -3.594700      0.1671000       2.065400    
 H    2.377900       2.901500      0.8854000    
 H   -5.369200      0.6610000      -2.543400    
 H   -5.840900       1.119200       1.702900    
 H   -6.735000       1.369600     -0.5976000    


%chk=000050508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050508

0 1
Br -1.537497 2.847713 0.044627
Br -2.656701 -3.597898 0.011946
O -0.186797 -2.248455 0.065677
O 1.472791 3.070744 0.142300
N 4.521955 -0.009409 -0.251060
C 3.615908 1.057504 0.217398
C 2.136267 0.681814 0.123663
C -0.650918 0.034660 0.059550
C 0.382229 -0.950177 0.080900
C 5.883711 0.095413 0.342834
C 4.528917 -0.115626 -1.739538
C 1.748787 -0.673397 0.113582
C 1.132814 1.707617 0.104286
C -1.927724 -0.688580 0.031085
C -0.246701 1.393276 0.070277
C -1.577681 -2.028432 0.036752
C -3.316856 -0.152780 0.004154
C 5.933459 -0.339933 1.819459
C 5.005904 -1.486777 -2.250867
C -3.963645 0.107434 -1.231079
C -4.016233 0.089954 1.214093
C -5.282896 0.610695 -1.255927
C -5.335487 0.593288 1.189247
C -5.972020 0.856873 -0.045757
H 3.811581 2.013631 -0.351334
H 3.859718 1.281981 1.273761
H 6.550657 -0.564806 -0.238624
H 6.293956 1.131970 0.235533
H 3.490647 0.045325 -2.082665
H 5.148570 0.698664 -2.193940
H 2.517325 -1.449475 0.134912
H 5.315855 0.305266 2.470498
H 5.567043 -1.375867 1.922667
H 6.971623 -0.292498 2.196913
H 6.051777 -1.700791 -1.967611
H 4.369651 -2.291296 -1.842549
H 4.947569 -1.521088 -3.354230
H -3.427448 -0.078085 -2.168483
H -3.520647 -0.108762 2.170913
H 2.451309 3.188420 0.037294
H -5.770820 0.810755 -2.216367
H -5.864259 0.779927 2.130572
H -6.995190 1.248704 -0.064960


