%chk=000125268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125268

0 1
 Br  -6.945600      0.6261000       1.601300    
 O    2.011700     -0.2412000      0.4099000    
 O    3.690400      -2.234500     -0.7534000    
 O    3.697000       1.682500       1.676300    
 O    2.072000       1.037600      -1.504400    
 O   -4.640300      -1.736600      0.6513000    
 N    3.393200     -0.2324000      0.3920000    
 N   -4.181700      0.3173000     -0.4036000    
 C    5.556300     -0.8626000     -4.9300000E-02
 C    5.558400      0.4376000      0.7575000    
 C    4.104300      -1.229800     -0.1960000    
 C    4.107500      0.7356000       1.023300    
 C  -3.2200001E-02  0.4160000     -0.5717000    
 C    1.451300      0.4517000     -0.6305000    
 C   -2.788300      0.3499000     -0.4604000    
 C  -0.7455000       1.484000      -1.075500    
 C  -0.6508000     -0.6841000     -1.4100000E-02
 C   -2.138800       1.450700      -1.019100    
 C   -2.044200     -0.7176000      4.2199999E-02
 C   -5.003900     -0.6892000      0.1227000    
 C   -6.470900     -0.3610000      1.7000000E-03
 H    6.088400      -1.658700      0.4797000    
 H    6.003500     -0.7182000      -1.037100    
 H    6.006900       1.257400      0.1888000    
 H    6.091600      0.3160000       1.704800    
 H  -0.2511000       2.348100      -1.509600    
 H  -9.2399999E-02  -1.532200      0.3712000    
 H   -2.705900       2.290100      -1.413600    
 H   -2.473800      -1.605500      0.4842000    
 H   -4.649300       1.133700     -0.7919000    
 H   -6.690500      0.2658000     -0.8651000    
 H   -7.070800      -1.273000     -2.9500000E-02


%chk=000125268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125268

0 1
Br -7.220057 1.199902 -1.027799
O 2.085103 -0.480469 0.305031
O 3.829599 -1.647716 -1.694872
O 3.696443 0.996528 2.207018
O 2.122984 1.493154 -1.003679
O -4.766304 -1.649003 0.895326
N 3.499055 -0.382412 0.285694
N -4.261933 0.284161 -0.359628
C 5.734652 -0.665846 -0.384469
C 5.691118 0.203944 0.901588
C 4.278985 -0.991496 -0.736197
C 4.211168 0.363674 1.265626
C -0.017393 0.474080 -0.383892
C 1.449841 0.616580 -0.440086
C -2.842917 0.303663 -0.339615
C -0.801510 1.455541 -1.049346
C -0.662608 -0.589627 0.300427
C -2.199742 1.371526 -1.027409
C -2.064944 -0.682771 0.327666
C -5.114504 -0.633420 0.222054
C -6.623398 -0.422487 0.049304
H 6.287557 -1.610708 -0.247674
H 6.190170 -0.141316 -1.241214
H 6.124339 1.207741 0.755629
H 6.218043 -0.259155 1.753184
H -0.297020 2.272346 -1.574855
H -0.060573 -1.344822 0.811961
H -2.800228 2.131458 -1.542048
H -2.563456 -1.499196 0.852208
H -4.722266 1.048020 -0.870039
H -7.054697 -1.293002 -0.467108
H -7.089005 -0.305372 1.039311


