%chk=000105434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105434

0 1
 Br   5.154200       1.284500      0.3836000    
 O    2.767700       2.652000      0.8703000    
 O   -1.452600      -3.439000     -0.1044000    
 N   0.7226000      -2.804500     -0.2861000    
 C    1.319400     -0.4842000     -9.6500002E-02
 C  -0.1111000     -7.8000002E-02 -0.1741000    
 C    1.704300      -1.818100     -0.2174000    
 C    2.318100      0.4663000      0.1461000    
 C  -0.4216000       1.392700     -0.2781000    
 C   -1.034800      -1.077600     -8.2199998E-02
 C   0.5746000       2.323000      7.6499999E-02
 C    3.050600      -2.196100     -0.1992000    
 C    1.944900       1.870500      0.4088000    
 C  -0.6163000      -2.535900     -0.1550000    
 C    3.670400      9.9100001E-02  0.1860000    
 C    4.034100      -1.231300     -6.3000000E-03
 C   -2.487900     -0.8581000      0.1255000    
 C   -1.611500       1.920400     -0.8069000    
 C   0.3359000       3.706800      3.9000001E-02
 C    3.477900      -3.619700     -0.3576000    
 C   -1.851300       3.298300     -0.8545000    
 C  -0.8863000       4.191000     -0.4107000    
 C   -3.328600     -0.7139000     -0.9739000    
 C   -2.999800     -0.7988000       1.418100    
 C   -4.694600     -0.5081000     -0.7788000    
 C   -4.365600     -0.5931000       1.613100    
 C   -5.212900     -0.4479000      0.5147000    
 H    1.002000      -3.777800     -0.3556000    
 H    5.081200      -1.526400      5.5999998E-03
 H   -2.368700       1.323100      -1.276200    
 H    1.103000       4.421200      0.3260000    
 H    3.133400      -4.219100      0.4915000    
 H    3.079900      -4.040100      -1.287300    
 H    4.568100      -3.717500     -0.4062000    
 H   -2.786500       3.670300      -1.263700    
 H   -1.068900       5.260300     -0.4535000    
 H   -2.944400     -0.7833000      -1.989000    
 H   -2.350900     -0.9104000       2.283100    
 H   -5.355100     -0.4003000      -1.634200    
 H   -4.769400     -0.5463000       2.620300    
 H   -6.276500     -0.2890000      0.6666000    


%chk=000105434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105434

0 1
Br 5.238286 1.240533 0.770142
O 2.703110 2.718327 1.312998
O -1.466597 -3.419572 -0.770443
N 0.723838 -2.713248 -0.565213
C 1.354421 -0.426971 -0.060812
C -0.062197 -0.054130 -0.173025
C 1.724034 -1.788515 -0.281938
C 2.372066 0.525308 0.312047
C -0.373167 1.398381 -0.235423
C -1.045387 -1.060156 -0.251898
C 0.598433 2.340057 0.217930
C 3.083752 -2.219147 -0.230788
C 1.952666 1.915571 0.674852
C -0.659787 -2.463967 -0.538621
C 3.716986 0.080622 0.362176
C 4.062309 -1.261426 0.078352
C -2.495972 -0.842530 0.009211
C -1.574910 1.908289 -0.807381
C 0.325866 3.732657 0.193485
C 3.458783 -3.662940 -0.496810
C -1.824428 3.291249 -0.860030
C -0.884356 4.212973 -0.332869
C -3.501486 -1.354756 -0.854482
C -2.893395 -0.164700 1.197000
C -4.867351 -1.156445 -0.557540
C -4.257485 0.019543 1.498307
C -5.251688 -0.468457 0.616660
H 0.973543 -3.686675 -0.762104
H 5.113986 -1.561011 0.113565
H -2.314704 1.221032 -1.220870
H 1.096112 4.409130 0.576497
H 2.985670 -4.351211 0.231275
H 3.157037 -3.989581 -1.511679
H 4.548320 -3.804714 -0.419743
H -2.753610 3.653558 -1.312791
H -1.089873 5.288223 -0.359334
H -3.210759 -1.909375 -1.750244
H -2.126054 0.206511 1.885041
H -5.631014 -1.549605 -1.237510
H -4.545226 0.536162 2.420491
H -6.312770 -0.323995 0.848921


