%chk=000047914.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047914

0 1
 Br  -2.562400       2.742500      0.6886000    
 O    3.286100       1.726000     -0.2292000    
 O    3.974600     -0.5791000      0.5524000    
 N    2.625900     -0.8824000      0.7495000    
 C   0.3702000     -0.2576000     -5.5000000E-02
 C   -1.783600       1.003800      0.2606000    
 C   -1.642100     -0.8036000      -1.480700    
 C   -1.632600      -1.403200      0.9714000    
 C  -0.2500000       1.114200      0.2828000    
 C  -0.1070000     -0.6973000      -1.454000    
 C  -9.7300000E-02  -1.293600      0.9866000    
 C   -2.250600      0.5685000      -1.137900    
 C   -2.241800     -2.8700000E-02   1.304000    
 C   -2.094900      -1.834900     -0.4317000    
 C    1.869100     -0.1683000     -2.6000001E-02
 C    2.536100      0.7939000     -0.9813000    
 H   -1.974600      -1.118200      -2.476100    
 H   -1.958800      -2.141700       1.712200    
 H   0.1006000       1.451500       1.268300    
 H   7.3500000E-02   1.885600     -0.4270000    
 H   0.3386000      -1.665100      -1.720100    
 H   0.2113000      7.4000000E-03  -2.231000    
 H   0.2360000      -1.010900       1.994100    
 H   0.3375000      -2.280300      0.7780000    
 H   -1.950300       1.304900      -1.894800    
 H   -3.345900      0.5071000      -1.180300    
 H   -3.336900     -0.1049000       1.320500    
 H   -1.935600      0.2763000       2.313300    
 H   -3.187200      -1.933500     -0.4516000    
 H   -1.681600      -2.821500     -0.6746000    
 H    3.205200      0.2473000      -1.654000    
 H    1.828100       1.343600      -1.602700    
 H    2.657400       2.268300      0.2772000    
 H    4.404200      -1.177800       1.186400    


%chk=000047914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047914

0 1
Br -2.525010 2.878000 0.654965
O 2.926142 2.121832 -0.099722
O 4.062173 -0.895681 0.457424
N 2.612214 -1.067346 0.600962
C 0.416809 -0.292700 -0.065757
C -1.749697 0.992376 0.236198
C -1.652944 -0.839433 -1.469662
C -1.630776 -1.385728 0.997047
C -0.214026 1.114267 0.250147
C -0.102409 -0.759769 -1.468654
C -0.082045 -1.306938 1.005846
C -2.251947 0.567922 -1.154591
C -2.234860 0.016644 1.321410
C -2.126857 -1.853264 -0.395993
C 1.944682 -0.171718 -0.097322
C 2.607574 0.930486 -0.916006
H -2.000660 -1.156927 -2.471620
H -1.962706 -2.100226 1.774613
H 0.125111 1.464606 1.243521
H 0.091385 1.858463 -0.510574
H 0.330691 -1.752003 -1.699259
H 0.236002 -0.061792 -2.259942
H 0.286738 -1.002272 2.003686
H 0.352966 -2.302199 0.803153
H -1.936926 1.303085 -1.918246
H -3.356367 0.525638 -1.163321
H -3.339566 -0.027255 1.326802
H -1.905554 0.358990 2.319848
H -3.232093 -1.929746 -0.404785
H -1.725453 -2.860738 -0.620992
H 3.586935 0.589701 -1.282180
H 1.969477 1.207679 -1.779228
H 2.088588 2.491531 0.280459
H 4.413606 -1.617185 1.039672


