%chk=000002426.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002426

0 1
 Br   4.964300      -1.306200      -2.116000    
 N   0.8741000      0.5864000      0.6356000    
 N   -1.888100      -2.482900      0.3545000    
 N   0.3581000      -1.706000      0.7521000    
 N   -3.601200       2.755300     -0.5228000    
 N   -5.431300      0.5819000     -0.6950000    
 C   -1.404100     -0.1374000      0.2258000    
 C   -2.296200      -1.219100      0.1439000    
 C  -8.4100001E-02 -0.4529000      0.5355000    
 C   -1.842200       1.179700      3.7000000E-03
 C   -3.176800       1.426900     -0.3024000    
 C   -4.069600      0.3643000     -0.3861000    
 C   -3.626200     -0.9429000     -0.1639000    
 C    2.255700      0.6276000      0.3905000    
 C    2.826700     -0.2111000     -0.5717000    
 C    3.071300       1.507300       1.109000    
 C  -0.5833000      -2.657800      0.6467000    
 C    4.199700     -0.1703000     -0.8133000    
 C    4.444500       1.548100      0.8675000    
 C    5.008700      0.7094000     -9.3699999E-02
 H   -1.157300       2.022600      5.6699999E-02
 H   -4.334500      -1.767800     -0.2322000    
 H   0.5379000       1.382700       1.170300    
 H    2.202000     -0.8903000      -1.147500    
 H    2.646000       2.166100       1.862000    
 H  -0.2607000      -3.678100      0.8147000    
 H   -2.932500       3.511500     -0.4554000    
 H   -4.563000       2.965600     -0.7458000    
 H   -6.063300     -0.2063000     -0.7501000    
 H   -5.786300       1.512200     -0.8607000    
 H    5.074400       2.232700       1.428000    
 H    6.080400      0.7537000     -0.2698000    


%chk=000002426-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002426

0 1
Br 5.559022 -2.202642 -0.084214
N 0.939566 0.598852 0.162202
N -1.885920 -2.484565 -0.371419
N 0.416163 -1.697211 -0.169625
N -3.875755 2.797846 -0.025786
N -5.613616 0.663053 -0.126407
C -1.410400 -0.058937 -0.093111
C -2.327394 -1.164747 -0.250482
C -0.000260 -0.411733 -0.037815
C -1.938699 1.267405 -0.031216
C -3.320129 1.505347 -0.072533
C -4.238657 0.383412 -0.141741
C -3.728927 -0.915744 -0.260300
C 2.354008 0.556117 0.226379
C 3.114580 -0.635542 0.063457
C 3.026157 1.789463 0.465485
C -0.555138 -2.661477 -0.334563
C 4.515043 -0.548509 0.142596
C 4.430570 1.832823 0.538731
C 5.203955 0.658373 0.376998
H -1.278345 2.144552 0.000918
H -4.392742 -1.783498 -0.333083
H 0.547637 1.529409 0.308114
H 2.586911 -1.573918 -0.111736
H 2.446224 2.712795 0.593498
H -0.183839 -3.685828 -0.439978
H -3.248908 3.593443 0.081268
H -4.726644 2.969971 -0.562964
H -6.265348 -0.115016 -0.210868
H -5.936468 1.467150 0.412479
H 4.935434 2.786987 0.723165
H 6.295019 0.687268 0.432653


%chk=000002426-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002426

0 1
Br 5.559022 -2.202642 -0.084214
N 0.939566 0.598852 0.162202
N -1.885920 -2.484565 -0.371419
N 0.416163 -1.697211 -0.169625
N -3.875755 2.797846 -0.025786
N -5.613616 0.663053 -0.126407
C -1.410400 -0.058937 -0.093111
C -2.327394 -1.164747 -0.250482
C -0.000260 -0.411733 -0.037815
C -1.938699 1.267405 -0.031216
C -3.320129 1.505347 -0.072533
C -4.238657 0.383412 -0.141741
C -3.728927 -0.915744 -0.260300
C 2.354008 0.556117 0.226379
C 3.114580 -0.635542 0.063457
C 3.026157 1.789463 0.465485
C -0.555138 -2.661477 -0.334563
C 4.515043 -0.548509 0.142596
C 4.430570 1.832823 0.538731
C 5.203955 0.658373 0.376998
H -1.278345 2.144552 0.000918
H -4.392742 -1.783498 -0.333083
H 0.547637 1.529409 0.308114
H 2.586911 -1.573918 -0.111736
H 2.446224 2.712795 0.593498
H -0.183839 -3.685828 -0.439978
H -3.248908 3.593443 0.081268
H -4.726644 2.969971 -0.562964
H -6.265348 -0.115016 -0.210868
H -5.936468 1.467150 0.412479
H 4.935434 2.786987 0.723165
H 6.295019 0.687268 0.432653


