%chk=000032221.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032221

0 1
 O    3.587000     -0.9529000     -1.2200000E-02
 N    5.878300      -1.272700     -1.5799999E-02
 N    4.929600      0.9312000      5.0000002E-04
 N    7.312700      0.6509000     -3.5000001E-03
 N    8.210700      -1.515300     -1.9500000E-02
 N    6.356500       2.792100      1.1900000E-02
 C   -3.899600     -0.5753000      2.0700000E-02
 C   -5.149000      0.3120000      8.0000004E-03
 C   -2.591900      0.2199000      2.9100001E-02
 C   -6.492900     -0.4211000      8.8799998E-02
 C   -1.343200     -0.6679000      2.9100001E-02
 C   -7.702100      0.5145000      1.1900000E-02
 C  -3.4499999E-02  0.1262000      1.2900000E-02
 C   -9.043400     -0.2263000      4.0000002E-03
 C    1.179400     -0.8085000     -1.4800000E-02
 C   -10.25320      0.7034000     -9.9600002E-02
 C    2.496800     -4.2500000E-02 -5.1000002E-03
 C   -11.55800     -7.5599998E-02 -2.7000001E-02
 C    4.846300     -0.4109000     -9.1000004E-03
 C    7.078900     -0.6713000     -1.2800000E-02
 C    6.191500       1.390000      2.6000000E-03
 H   -3.920700      -1.234400     -0.8556000    
 H   -3.930900      -1.223100      0.9053000    
 H   -5.089100       1.016100      0.8478000    
 H   -5.133100      0.9201000     -0.9055000    
 H   -2.569900      0.8707000      0.9119000    
 H   -2.565600      0.8764000     -0.8493000    
 H   -6.547700      -1.147500     -0.7312000    
 H   -6.535600     -0.9944000       1.022800    
 H   -1.363600      -1.315300      0.9145000    
 H   -1.375200      -1.327900     -0.8468000    
 H   -7.628000       1.123600     -0.8974000    
 H   -7.675800       1.208500      0.8610000    
 H   1.4000000E-02  0.7691000      0.8999000    
 H  -1.2800000E-02  0.7822000     -0.8655000    
 H   -9.122300     -0.8236000      0.9210000    
 H   -9.059700     -0.9327000     -0.8353000    
 H    1.152000      -1.487500      0.8468000    
 H    1.141600      -1.451400     -0.9031000    
 H   -10.21300       1.260700      -1.042500    
 H   -10.22750       1.437700      0.7138000    
 H    2.541200      0.5827000      0.8958000    
 H    2.542500      0.6013000     -0.8927000    
 H   -11.64100     -0.6152000      0.9218000    
 H   -12.41060      0.6061000     -0.1057000    
 H   -11.62690     -0.8018000     -0.8432000    
 H    8.083200      -2.517800     -2.6000001E-02
 H    9.135200      -1.107000     -1.7100001E-02
 H    7.288500       3.182900      1.3600000E-02
 H    5.540600       3.388500      1.6700000E-02


%chk=000032221-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032221

0 1
O 3.616607 -0.854271 0.026253
N 5.867353 -1.326128 0.037646
N 5.093273 0.982668 -0.015014
N 7.490830 0.508529 -0.004211
N 8.169717 -1.733650 0.048369
N 6.680066 2.705221 -0.055634
C -3.940138 -0.475027 0.005319
C -5.204115 0.413932 -0.001041
C -2.621959 0.331615 0.001659
C -6.520719 -0.395363 0.000849
C -1.361517 -0.561964 0.009802
C -7.786363 0.491463 -0.004832
C -0.041187 0.241168 0.004007
C -9.102346 -0.318876 -0.002329
C 1.208264 -0.669869 0.016463
C -10.368499 0.568094 -0.008405
C 2.505053 0.139589 0.004973
C -11.678015 -0.250145 -0.006149
C 4.902332 -0.367538 0.015915
C 7.146700 -0.822457 0.026358
C 6.419537 1.359727 -0.023960
H -3.960559 -1.146574 -0.878549
H -3.962046 -1.136039 0.897067
H -5.185263 1.084487 0.883695
H -5.182465 1.075817 -0.892235
H -2.601450 1.003738 0.885137
H -2.598868 0.991367 -0.891044
H -6.539458 -1.065742 -0.884007
H -6.541797 -1.057804 0.891614
H -1.384493 -1.220472 0.902971
H -1.383321 -1.235034 -0.872464
H -7.765928 1.153505 -0.896007
H -7.767836 1.162149 0.879883
H -0.020452 0.915627 0.885548
H -0.016955 0.896845 -0.891536
H -9.124454 -0.980778 0.888885
H -9.122334 -0.989790 -0.886826
H 1.194411 -1.316982 0.914437
H 1.194173 -1.342033 -0.862898
H -10.345143 1.229158 -0.898932
H -10.347588 1.237883 0.875631
H 2.596892 0.797625 0.888963
H 2.601496 0.765256 -0.901652
H -11.739571 -0.895957 0.890261
H -12.567789 0.406237 -0.011659
H -11.736095 -0.906277 -0.895274
H 7.942593 -2.724376 0.071393
H 9.130855 -1.403561 0.041534
H 7.645723 3.022403 -0.063005
H 5.902549 3.359502 -0.071070


