%chk=000047295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047295

0 1
 O   -4.588800      0.5783000      0.4034000    
 O   -3.055500     -0.6324000       1.564500    
 N   -1.621100      -1.223900     -0.6298000    
 N   0.8628000       2.717300     -9.4400004E-02
 N    2.983600      -1.452900      0.2266000    
 N   0.6795000      -1.370200     -0.2012000    
 N  -0.4056000      0.7636000     -0.3658000    
 N    1.950600      0.6466000      7.2499998E-02
 C  -0.3893000     -0.5789000     -0.3869000    
 C   0.8002000       1.324300     -0.1304000    
 C    1.814400     -0.6884000      2.3100000E-02
 C   -2.828200     -0.4474000     -0.8280000    
 C   -1.695700      -2.670200     -0.6697000    
 C    2.123700       3.404700      0.1531000    
 C  -0.3283000       3.527100     -0.3169000    
 C    4.252500     -0.7993000      0.4744000    
 C    2.925500      -2.900400      0.2039000    
 C   -3.480300     -0.1980000      0.5017000    
 H   -3.538700      -1.001200      -1.452700    
 H   -2.634300      0.5075000      -1.328800    
 H   -1.355600      -3.104600      0.2769000    
 H   -1.079600      -3.068000      -1.483400    
 H   -2.720900      -3.019700     -0.8345000    
 H    2.005700       4.493400      0.1616000    
 H    2.853400       3.161400     -0.6269000    
 H    2.535700       3.114700       1.126000    
 H  -0.7410000       3.337100      -1.313800    
 H  -0.1170000       4.599400     -0.2499000    
 H   -1.094200       3.298700      0.4324000    
 H    5.067800      -1.519200      0.6024000    
 H    4.206200     -0.1964000       1.388000    
 H    4.524800     -0.1491000     -0.3643000    
 H    2.567100      -3.259400     -0.7672000    
 H    2.256800      -3.273900      0.9873000    
 H    3.907800      -3.354100      0.3734000    
 H   -5.001100      0.7400000       1.278800    


%chk=000047295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047295

0 1
O -4.915462 0.324529 0.277526
O -3.486365 -0.835474 1.700045
N -1.628828 -1.188799 -0.497063
N 0.942314 2.751894 -0.228684
N 3.025360 -1.454824 0.209329
N 0.695043 -1.369949 -0.137472
N -0.381409 0.803130 -0.357509
N 2.023501 0.668994 -0.003048
C -0.398665 -0.568517 -0.318895
C 0.860408 1.372140 -0.196689
C 1.885437 -0.697277 0.017658
C -2.828472 -0.384915 -0.666396
C -1.778624 -2.648292 -0.419463
C 2.223993 3.448102 -0.070623
C -0.245499 3.590610 -0.421768
C 4.341168 -0.831476 0.388878
C 2.974885 -2.920472 0.256489
C -3.721362 -0.355495 0.573609
H -3.436725 -0.748313 -1.517445
H -2.517447 0.652356 -0.885503
H -2.339057 -2.936279 0.489875
H -0.775163 -3.094212 -0.379831
H -2.315929 -3.023826 -1.311954
H 2.192394 4.124030 0.806946
H 2.450355 4.055542 -0.969633
H 3.014895 2.699127 0.073117
H -0.148973 4.197731 -1.344063
H -0.376356 4.279840 0.435960
H -1.127554 2.941036 -0.504058
H 5.044105 -1.177014 -0.394996
H 4.765098 -1.096835 1.377891
H 4.225337 0.259073 0.322472
H 3.600691 -3.357174 -0.547173
H 1.932289 -3.240372 0.123280
H 3.351702 -3.290326 1.230759
H -5.484188 0.358209 1.093831


