%chk=000121406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121406

0 1
 Br   1.315200       1.350200       2.946400    
 N   -1.410600     -6.8000004E-02  8.3499998E-02
 C  -0.7845000      0.7766000       1.102300    
 C   -2.751300      0.4124000     -0.2285000    
 C   -1.453800      -1.460100      0.5347000    
 C   0.5901000      0.2303000       1.500600    
 C   -2.698000       1.864100     -0.6981000    
 C   -2.045600      -2.351700     -0.5539000    
 C    1.627000      0.1665000      0.4050000    
 C   -4.088100       2.396600      -1.010000    
 C   -2.121600      -3.801900     -0.1014000    
 C    2.604100     -0.8150000      0.4509000    
 C    1.582900       1.091000     -0.6264000    
 C    3.562400     -0.8736000     -0.5611000    
 C    2.541000       1.032400      -1.638400    
 C    3.530800      5.0099999E-02  -1.605700    
 H  -0.6533000       1.811000      0.7773000    
 H   -1.423700      0.8205000       1.996400    
 H   -3.197500     -0.1402000      -1.059700    
 H   -3.423000      0.3205000      0.6349000    
 H  -0.4557000      -1.868700      0.7119000    
 H   -2.028900      -1.562300       1.464200    
 H   0.5088000     -0.7306000       2.018500    
 H   -2.305800       2.540700      6.5499999E-02
 H   -2.063100       1.957800      -1.587300    
 H   -3.072800      -2.078000     -0.8085000    
 H   -1.446200      -2.287100      -1.469900    
 H   -4.562100       1.813800      -1.806300    
 H   -4.732400       2.357900     -0.1256000    
 H   -4.030400       3.438000      -1.342500    
 H   -1.126300      -4.192100      0.1345000    
 H   -2.750900      -3.904100      0.7886000    
 H   -2.549600      -4.425000     -0.8931000    
 H    2.638200      -1.539600       1.259300    
 H   0.8439000       1.882000     -0.6823000    
 H    4.333200      -1.638400     -0.5355000    
 H    2.519400       1.754000      -2.449900    
 H    4.277400      5.1000002E-03  -2.393200    


%chk=000121406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121406

0 1
Br 1.691521 0.472827 3.277386
N -1.540210 -0.380010 0.607542
C -0.734325 0.341417 1.613521
C -2.541944 0.449808 -0.107345
C -2.046975 -1.696018 1.071670
C 0.737406 -0.124504 1.506070
C -1.936390 1.324359 -1.226038
C -2.149113 -2.744256 -0.057834
C 1.526326 0.372482 0.322385
C -3.009670 2.175302 -1.938238
C -2.699775 -4.094341 0.450559
C 2.179345 -0.558870 -0.523995
C 1.632611 1.756699 0.025848
C 2.909422 -0.122160 -1.651888
C 2.365781 2.196354 -1.094972
C 3.004328 1.257844 -1.941435
H -0.791522 1.428525 1.430977
H -1.095907 0.167430 2.651351
H -3.283396 -0.233240 -0.563066
H -3.111199 1.100394 0.603698
H -1.353464 -2.081824 1.844280
H -3.042912 -1.593666 1.572408
H 0.795925 -1.221055 1.591592
H -1.154087 1.985555 -0.806552
H -1.422758 0.661857 -1.947780
H -2.799960 -2.359344 -0.867278
H -1.144536 -2.876753 -0.503114
H -3.787966 1.535913 -2.397026
H -3.514103 2.861218 -1.230944
H -2.562667 2.788618 -2.741194
H -2.049870 -4.520160 1.238422
H -3.713029 -3.977243 0.879683
H -2.763946 -4.833397 -0.368170
H 2.110652 -1.630299 -0.299474
H 1.168037 2.491699 0.693766
H 3.404718 -0.854704 -2.298836
H 2.447269 3.268256 -1.307271
H 3.575581 1.600386 -2.811507


