%chk=000028394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028394

0 1
 Br   2.113000      -3.413000     -0.9844000    
 O    3.545900     -0.6665000     -0.8287000    
 O    2.094000       2.823800      0.6322000    
 O    3.743300       1.700100     -0.2925000    
 N    2.581000       1.765300      0.1714000    
 C   -1.697300     -0.4276000       1.254100    
 C   -2.839600      0.6426000      -1.006500    
 C   -2.593100      0.6475000      0.5383000    
 C  -0.2657000     -0.4952000      0.6850000    
 C   -1.562100      1.3700000E-02   2.740500    
 C   -2.417400      -1.792200       1.291400    
 C   -3.681200       1.900100      -1.337200    
 C   -3.670700     -0.5767000      -1.451200    
 C   -1.555900      0.7094000      -1.842500    
 C   0.4870000      0.6497000      0.6905000    
 C   0.1824000      -1.696700      0.2022000    
 C    1.782000      0.5886000      0.1758000    
 C    1.477300      -1.757800     -0.3126000    
 C    2.277200     -0.6151000     -0.3259000    
 H   -3.577400      0.6345000       1.030700    
 H   -2.182600       1.638400      0.7827000    
 H   -1.163500       1.027900       2.851800    
 H  -0.9019000     -0.6617000       3.298600    
 H   -2.538800      4.9000001E-03   3.239700    
 H   -1.903100      -2.500600       1.953500    
 H   -3.435300      -1.682100       1.685300    
 H   -2.507800      -2.269700      0.3152000    
 H   -3.144400       2.816400      -1.065900    
 H   -4.632000       1.894800     -0.7922000    
 H   -3.913100       1.959500      -2.406900    
 H   -4.515100     -0.7553000     -0.7770000    
 H   -4.079900     -0.4275000      -2.457800    
 H   -3.064200      -1.483900      -1.504000    
 H   -1.796300      0.8909000      -2.897900    
 H  -0.9106000       1.533800      -1.524900    
 H  -0.9959000     -0.2268000      -1.828100    
 H   8.5299999E-02   1.580400       1.076500    
 H  -0.4077000      -2.604100      0.1973000    
 H    3.719700      -1.574700      -1.130500    


%chk=000028394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028394

0 1
Br 2.586414 -3.353064 -0.843593
O 3.875067 -0.500537 -0.619166
O 1.907547 3.012175 0.701164
O 3.864713 2.050242 0.047930
N 2.613470 1.986288 0.335482
C -1.681678 -0.492997 1.157440
C -3.005999 0.613087 -1.007625
C -2.525574 0.655426 0.487369
C -0.220898 -0.511142 0.646606
C -1.622354 -0.159384 2.686805
C -2.362674 -1.877706 1.019261
C -3.440081 2.067313 -1.360825
C -4.248071 -0.303103 -1.198767
C -1.890805 0.185873 -1.997027
C 0.561412 0.663330 0.670161
C 0.412649 -1.698266 0.194837
C 1.910747 0.679389 0.257397
C 1.752788 -1.680304 -0.214728
C 2.557879 -0.506952 -0.206071
H -3.433769 0.780921 1.113947
H -1.950328 1.594729 0.614881
H -1.212337 0.850710 2.867563
H -0.986225 -0.886289 3.224365
H -2.637040 -0.196449 3.124671
H -1.870083 -2.628119 1.666255
H -3.417022 -1.806995 1.338566
H -2.353817 -2.258836 -0.016791
H -2.581198 2.763045 -1.313255
H -4.214695 2.434127 -0.660365
H -3.859241 2.112779 -2.383410
H -5.061267 -0.017783 -0.504153
H -4.636699 -0.202293 -2.230051
H -4.018713 -1.368810 -1.034774
H -2.257432 0.274244 -3.037349
H -0.994688 0.825275 -1.898208
H -1.575975 -0.861772 -1.842519
H 0.150158 1.616343 1.012410
H -0.137050 -2.641050 0.159152
H 4.138371 -1.418346 -0.911585


