%chk=000013927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013927

0 1
 Br  -2.663400      -2.858900      0.3578000    
 O    1.623400     -0.1824000     -0.9939000    
 O    3.817400       1.629400      0.1358000    
 O    2.369500      -2.856400     -0.6107000    
 O   -1.085600       2.777700     -0.3713000    
 N  -0.4366000      0.5731000     -0.1811000    
 N   -2.742600       1.256000     -8.4500000E-02
 N   -4.457700     -0.2669000      0.2067000    
 C    3.047500      0.5905000      0.7369000    
 C    1.649300       1.090500       1.018000    
 C   0.9543000      0.8924000     -0.3192000    
 C    2.817400     -0.5308000     -0.2667000    
 C    2.584000      -1.881700      0.3971000    
 C  -0.8367000     -0.7421000     -8.3999997E-03
 C   -1.410100       1.598600     -0.2199000    
 C   -2.114900      -1.100300      0.1254000    
 C   -3.114900      1.1400000E-02  7.8100003E-02
 H    3.579900      0.2630000       1.634700    
 H    1.186700      0.4733000       1.797700    
 H    1.603600       2.134300       1.343900    
 H    1.076200       1.785900     -0.9428000    
 H    3.627700     -0.6056000      -1.000400    
 H    1.726100      -1.880300       1.073500    
 H    3.469300      -2.176200      0.9705000    
 H    3.892100       2.349000      0.7855000    
 H  -6.9100000E-02  -1.500000      9.3999999E-03
 H    2.237000      -3.708400     -0.1613000    
 H   -4.797600      -1.214400      0.3340000    
 H   -5.149300      0.4744000      0.1763000    


%chk=000013927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013927

0 1
Br -2.645746 -3.032873 -0.610321
O 1.758177 -0.092420 -1.110136
O 4.120170 1.432243 0.004029
O 1.851763 -2.793101 -0.308008
O -0.914706 2.678099 0.444849
N -0.407824 0.497046 -0.223983
N -2.657748 1.089833 0.442095
N -4.359865 -0.496653 0.433034
C 3.110100 0.644496 0.721080
C 1.741234 1.362703 0.827205
C 0.998679 0.976125 -0.482778
C 2.804964 -0.574108 -0.170641
C 2.335000 -1.787953 0.646470
C -0.790309 -0.798899 -0.479816
C -1.350646 1.505310 0.246020
C -2.100599 -1.179466 -0.257773
C -3.043440 -0.185878 0.211271
H 3.492665 0.349447 1.720950
H 1.177032 1.001662 1.704515
H 1.829168 2.455867 0.922474
H 0.920033 1.818403 -1.188684
H 3.666452 -0.843795 -0.801191
H 1.528887 -1.500105 1.356081
H 3.200480 -2.169451 1.228987
H 4.187346 2.330411 0.415670
H -0.013531 -1.475468 -0.855950
H 1.640440 -3.633106 0.171166
H -4.719586 -1.433660 0.265224
H -4.975690 0.250392 0.749262


