%chk=000036912.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036912

0 1
 O    1.308800      -2.567300      -1.128000    
 N   -1.750600      0.1201000      4.9999999E-03
 N    1.757000       1.548800     -7.1000002E-02
 C   0.4247000     -0.3003000      -1.128800    
 C  -0.5227000     -0.6598000      5.0099999E-02
 C    2.434500     -0.8547000      0.1919000    
 C   0.1303000     -0.7163000       1.461100    
 C    1.670800      -1.192800      -1.088300    
 C    1.597900      -1.204500       1.439600    
 C   0.8932000       1.170200      -1.192700    
 C    2.872900      0.6214000      0.1351000    
 C   -2.421600      3.0999999E-02  -1.291500    
 C   -2.740900     -0.3411000      0.9776000    
 C  -4.7200002E-02  0.5316000       2.340200    
 C   -3.814500      0.5656000     -0.9925000    
 C   -4.022900      0.3244000      0.4994000    
 C    2.230300       2.923800     -0.2070000    
 H  -8.1500001E-02 -0.5362000      -2.073800    
 H  -0.8102000      -1.705900     -0.1467000    
 H    3.340900      -1.473400      0.2363000    
 H  -0.4121000      -1.498700       2.015800    
 H    2.297800      -1.001500      -1.968100    
 H    1.565300      -2.302300       1.498700    
 H    2.134000     -0.8962000       2.345400    
 H    1.426700       1.322800      -2.141200    
 H   1.9600000E-02   1.831700      -1.218300    
 H    3.388600      0.8714000       1.070600    
 H    3.607900      0.7343000     -0.6737000    
 H   -2.497000      -1.004600      -1.648100    
 H   -1.952700      0.6413000      -2.069200    
 H   -2.548400     -4.7699999E-02   2.009200    
 H   -2.865500      -1.431500      0.9462000    
 H  -0.3305000       1.419800       1.768600    
 H  -0.8073000      0.3679000       3.110900    
 H   0.8711000      0.7840000       2.881500    
 H   -4.576300      6.0199998E-02  -1.594700    
 H   -3.875000       1.639400      -1.205800    
 H   -4.179700       1.282000       1.009900    
 H   -4.898000     -0.3053000      0.6893000    
 H    2.127700      -3.087200      -1.061100    
 H    1.384900       3.617400     -0.2761000    
 H    2.860000       3.057700      -1.093800    
 H    2.808300       3.221400      0.6749000    


%chk=000036912-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036912

0 1
O 1.269634 -2.592273 -1.163669
N -1.809606 0.060652 0.010649
N 1.880913 1.537472 -0.071490
C 0.442807 -0.295321 -1.076346
C -0.526619 -0.697963 0.075322
C 2.450007 -0.889566 0.275803
C 0.102265 -0.650269 1.513921
C 1.697457 -1.185708 -1.038117
C 1.556067 -1.233801 1.499715
C 0.912735 1.181096 -1.130337
C 2.964745 0.568997 0.169291
C -2.472991 0.086176 -1.324878
C -2.861303 -0.490779 0.912714
C 0.020680 0.716501 2.237281
C -3.905084 0.602786 -1.026524
C -4.154274 0.238300 0.474689
C 2.351004 2.924893 -0.170604
H -0.074652 -0.499969 -2.032641
H -0.740218 -1.781345 -0.124274
H 3.356465 -1.531547 0.332995
H -0.495555 -1.361552 2.123514
H 2.352947 -0.924946 -1.900672
H 1.485615 -2.339488 1.533158
H 2.073575 -0.920809 2.428343
H 1.347494 1.360678 -2.151280
H 0.034238 1.845698 -1.023891
H 3.482184 0.854982 1.106737
H 3.738196 0.599579 -0.647745
H -2.519142 -0.938503 -1.778433
H -1.931348 0.741201 -2.029399
H -2.610848 -0.316992 1.972455
H -2.970478 -1.597934 0.766961
H -1.002437 1.127463 2.199369
H 0.311629 0.593137 3.299149
H 0.696526 1.440103 1.752422
H -4.644772 0.137751 -1.701873
H -3.960920 1.695480 -1.170795
H -4.300851 1.153736 1.073457
H -5.044156 -0.400593 0.613865
H 2.075958 -3.167617 -1.154007
H 1.486141 3.612585 -0.201569
H 2.974241 3.117206 -1.082096
H 2.960332 3.181402 0.715729


