%chk=000063465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063465

0 1
 Br  -7.158800      -3.198100      0.7938000    
 O    1.030400       1.965800      0.6610000    
 O   -3.016100      3.0500000E-02   2.196600    
 O    7.789200      -1.658200     -0.6653000    
 N   -2.408100       1.315900      0.3366000    
 N   -3.581500       1.052700      -1.714600    
 N   0.1261000     -4.6100002E-02   1.033400    
 N    3.233200       1.368500      0.3386000    
 N    1.480000     -0.2202000      0.8154000    
 C   -1.344100       1.996900       1.072800    
 C   -4.226100     -0.2982000      0.2238000    
 C   -2.657400       1.616200      -1.001000    
 C   -3.166500      0.3544000       1.021900    
 C   -4.388100      7.9000004E-02  -1.111600    
 C  -6.5300003E-02   1.229000      0.9312000    
 C   -5.049000      -1.274400      0.7971000    
 C   -1.797500       2.663800      -1.667600    
 C   -5.389600     -0.5366000      -1.871100    
 C   -6.042600      -1.878800      2.8500000E-02
 C   -6.213000      -1.510800      -1.304500    
 C    1.966900      0.9799000      0.6021000    
 C    4.400700      0.5929000      8.2199998E-02
 C    5.573400       1.229500     -0.2986000    
 C    4.346900     -0.7872000      0.2163000    
 C    6.674200     -0.9179000     -0.4190000    
 C    6.716100      0.4702000     -0.5504000    
 C    5.489500      -1.546500     -3.5599999E-02
 C    7.676800      -3.072300     -0.5120000    
 H   -1.603800       2.039900       2.136800    
 H   -1.223200       3.028600      0.7332000    
 H   -4.918700      -1.564300       1.836800    
 H  -0.7374000       2.421800      -1.567900    
 H   -1.996200       3.644400      -1.226100    
 H   -2.033600       2.719100      -2.735000    
 H   -5.534600     -0.2595000      -2.912700    
 H   -6.982800      -1.972400      -1.917700    
 H    3.398600       2.366600      0.2316000    
 H    5.618200       2.309900     -0.4047000    
 H    3.461200      -1.330000      0.5186000    
 H    7.636000      0.9656000     -0.8489000    
 H    5.388800      -2.619600      8.7099999E-02
 H    6.961300      -3.498600      -1.223300    
 H    7.447700      -3.347800      0.5230000    
 H    8.656100      -3.501800     -0.7477000    


%chk=000063465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063465

0 1
Br -6.628371 -1.916399 3.196323
O 0.581333 1.294241 0.588982
O -2.620637 1.776670 1.848220
O 7.757269 -2.084912 0.242511
N -2.410500 1.678091 -0.493227
N -3.797018 0.261243 -1.857839
N 0.908478 2.093232 -1.524055
N 2.604095 0.139436 0.938661
N 2.089235 1.351790 -1.153149
C -1.296464 2.665367 -0.385933
C -4.062385 0.258115 0.611286
C -2.842008 1.174813 -1.743584
C -3.006101 1.273017 0.751589
C -4.411754 -0.220324 -0.690506
C 0.058366 2.046674 -0.506408
C -4.716201 -0.238542 1.769241
C -2.208128 1.723149 -2.998853
C -5.426385 -1.211327 -0.809402
C -5.709393 -1.212071 1.613903
C -6.073572 -1.707942 0.332395
C 1.849939 0.898300 0.094139
C 3.906854 -0.389518 0.690817
C 4.510409 -1.163544 1.718352
C 4.600152 -0.169965 -0.522990
C 6.486910 -1.492852 0.319666
C 5.789288 -1.710909 1.535078
C 5.887395 -0.721773 -0.705417
C 8.518281 -1.886924 -0.993346
H -1.404959 3.136001 0.607121
H -1.395760 3.430420 -1.169626
H -4.424354 0.152996 2.747826
H -1.106430 1.650084 -2.990395
H -2.466277 2.789958 -3.144853
H -2.607465 1.152909 -3.849071
H -5.686035 -1.570121 -1.809299
H -6.853353 -2.469286 0.240285
H 2.180366 -0.065530 1.845550
H 3.979645 -1.338559 2.662652
H 4.135065 0.425982 -1.312949
H 6.266817 -2.308944 2.316444
H 6.405543 -0.539822 -1.651423
H 8.725349 -0.813586 -1.171177
H 7.985961 -2.311770 -1.866682
H 9.464101 -2.426066 -0.837756


