%chk=000030600.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030600

0 1
 Br  -5.852500       1.059000       1.656800    
 O   0.3162000     -0.6877000      -1.479100    
 N    2.686600     -4.2399999E-02 -0.2231000    
 N  -0.8350000      0.5809000      0.1263000    
 C    1.532900      0.8425000     -6.5099999E-02
 C    2.490100      -1.278300      0.5338000    
 C    3.910700      0.6318000      0.2079000    
 C   0.2856000      0.1425000     -0.5763000    
 C   -2.178500      0.1719000     -4.8900001E-02
 C    3.630800      -2.229800      0.3420000    
 C    4.137300       1.902700     -0.5517000    
 C   -3.165600      0.7234000      0.7507000    
 C   -2.477000     -0.7724000      -1.017100    
 C   -4.489300      0.3192000      0.5772000    
 C   -3.800600      -1.176700      -1.190600    
 C   -4.806700     -0.6309000     -0.3934000    
 C    4.414100      -2.668100       1.334100    
 C    4.201200       3.112300      1.6400000E-02
 H    1.409100       1.145700      0.9823000    
 H    1.615500       1.748000     -0.6770000    
 H    2.348400      -1.059700       1.601500    
 H    1.598700      -1.827400      0.2141000    
 H    3.891900      0.8285000       1.288700    
 H    4.792900      1.1500000E-02  1.1300000E-02
 H  -0.6944000       1.282600      0.8498000    
 H    3.820900      -2.589400     -0.6665000    
 H    4.266300       1.828300      -1.628900    
 H   -2.912200       1.463700       1.505900    
 H   -1.757900      -1.240700      -1.672200    
 H   -4.049200      -1.916500      -1.946200    
 H   -5.833100     -0.9568000     -0.5416000    
 H    5.222300      -3.361700       1.129900    
 H    4.266500      -2.345200       2.358700    
 H    4.372400       3.995200     -0.5896000    
 H    4.083100       3.243800       1.086200    


%chk=000030600-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030600

0 1
Br -6.127786 1.466598 1.214480
O 0.312618 -0.939457 -1.061694
N 2.718379 -0.040878 0.230015
N -0.971645 0.452372 0.329445
C 1.459981 0.661972 0.455097
C 2.818818 -1.361057 0.900269
C 3.917045 0.818075 0.393969
C 0.236741 -0.043693 -0.177501
C -2.300344 0.123510 -0.055426
C 3.883188 -2.233181 0.267733
C 3.979683 1.909866 -0.654230
C -3.354939 0.803850 0.615660
C -2.604171 -0.835178 -1.059609
C -4.686122 0.514384 0.272945
C -3.953945 -1.095466 -1.374797
C -5.016407 -0.430567 -0.718863
C 4.859183 -2.884310 0.948529
C 4.177460 3.226467 -0.391891
H 1.240574 0.842890 1.544895
H 1.541557 1.663648 -0.012928
H 3.007908 -1.265804 1.999178
H 1.842912 -1.866051 0.770661
H 3.985332 1.270094 1.416285
H 4.797261 0.155656 0.278262
H -0.888096 1.152107 1.072456
H 3.799904 -2.333353 -0.823718
H 3.862720 1.561344 -1.690621
H -3.134545 1.546713 1.390313
H -1.790557 -1.353536 -1.568577
H -4.187514 -1.834029 -2.149090
H -6.058632 -0.641349 -0.971277
H 5.577790 -3.535484 0.438650
H 4.961298 -2.791687 2.037650
H 4.248310 3.967856 -1.195458
H 4.287542 3.597476 0.635488


