%chk=000050779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050779

0 1
 O  -0.4011000       1.272000      -1.055400    
 O  -0.6259000       2.002800       1.115900    
 N    3.050800      0.3562000     -7.6399997E-02
 N   -5.755000      -1.724000      0.2000000    
 C    3.568800     -0.6942000      0.8022000    
 C    5.104600     -0.6088000      0.8729000    
 C    3.140300      -2.093200      0.3205000    
 C    1.601200      0.2842000     -0.1635000    
 C    1.020800       1.396000      -1.041000    
 C    5.612000      0.7401000       1.368500    
 C    3.644400      -2.442200      -1.074000    
 C    1.503500       1.332200      -2.484400    
 C   -1.015700       1.359600      0.1538000    
 C   -2.260400      0.5502000      0.1655000    
 C   -3.308500      0.9504000      0.9686000    
 C   -2.330100     -0.5776000     -0.6266000    
 C   -4.477600      0.1896000      0.9802000    
 C   -3.499100      -1.338400     -0.6151000    
 C   -4.573000     -0.9548000      0.1883000    
 H    3.175600     -0.5441000       1.816600    
 H    5.477100      -1.390100       1.546800    
 H    5.560700     -0.7882000     -0.1069000    
 H    3.550500      -2.836700       1.017500    
 H    2.056700      -2.237100      0.3786000    
 H    3.315800       1.272700      0.2811000    
 H    1.260700     -0.6555000     -0.6107000    
 H    1.178900      0.3182000      0.8463000    
 H    1.282000       2.382200     -0.6353000    
 H    5.435500       1.536400      0.6394000    
 H    5.135800       1.017700       2.314200    
 H    6.692700      0.6906000       1.538300    
 H    3.330800      -1.708800      -1.822400    
 H    4.733300      -2.534900      -1.107400    
 H    3.235600      -3.412700      -1.376300    
 H    2.584700       1.479600      -2.560200    
 H    1.247500      0.3692000      -2.940200    
 H    1.008200       2.103300      -3.084800    
 H   -3.247300       1.841100       1.586900    
 H   -1.504000     -0.9061000      -1.250100    
 H   -5.307700      0.4993000       1.610000    
 H   -3.560200      -2.230000      -1.234100    
 H   -5.824900      -2.553400     -0.3745000    
 H   -6.534200      -1.446100      0.7818000    


%chk=000050779-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050779

0 1
O -0.491965 0.194448 -0.950550
O -0.697996 1.731456 0.803368
N 3.168638 0.052267 -0.060135
N -6.722611 -0.689975 0.296863
C 4.085244 -0.820787 0.724129
C 5.423212 -0.076705 0.966343
C 4.305119 -2.185839 0.011605
C 1.744719 -0.345122 -0.073896
C 0.961020 0.537570 -1.071336
C 5.316586 1.114001 1.946440
C 4.934049 -2.080753 -1.393963
C 1.341925 0.305726 -2.532117
C -1.219888 0.866140 0.048460
C -2.636398 0.440046 0.083212
C -3.503108 1.031640 1.042514
C -3.164068 -0.538062 -0.803743
C -4.853338 0.663365 1.118853
C -4.513746 -0.913944 -0.736867
C -5.384037 -0.319194 0.227407
H 3.645871 -1.049369 1.731365
H 6.153034 -0.807143 1.367244
H 5.819621 0.272723 -0.006571
H 4.942387 -2.810861 0.669464
H 3.335058 -2.715976 -0.063044
H 3.261979 1.034654 0.234331
H 1.665638 -1.397511 -0.401743
H 1.259228 -0.268707 0.927529
H 1.074621 1.601395 -0.783336
H 4.661310 1.919022 1.562839
H 4.908648 0.788643 2.922106
H 6.308910 1.566090 2.127648
H 4.350021 -1.381763 -2.018310
H 5.973510 -1.708283 -1.350060
H 4.953544 -3.067301 -1.892692
H 2.430971 0.447091 -2.641498
H 1.089721 -0.725117 -2.839467
H 0.812888 1.009269 -3.197548
H -3.089068 1.784616 1.721618
H -2.499869 -0.994140 -1.543188
H -5.509214 1.129091 1.864411
H -4.908369 -1.669110 -1.427606
H -7.104049 -1.387993 -0.335354
H -7.345948 -0.268899 0.979871


