%chk=000004487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004487

0 1
 O  -0.8406000       1.779800     -0.4611000    
 O    2.521600      -1.796600     -0.4605000    
 N   -1.783300      -1.509300      9.6199997E-02
 N   -2.150100     -0.1840000     -0.1816000    
 N    1.416500      0.1487000      0.1831000    
 N    6.132700      0.2322000     -0.7059000    
 C  -0.4077000      -1.519000      0.3149000    
 C   0.1513000     -0.3159000      0.1168000    
 C  -0.9845000      0.5866000     -0.2457000    
 C   -3.478000      0.2984000     -6.8099998E-02
 C   -2.430600      -2.582100     -0.6526000    
 C   0.3086000      -2.776900      0.6766000    
 C   -3.825500       1.539100     -0.6113000    
 C   -4.450200     -0.4629000      0.5879000    
 C    2.544700     -0.6192000     -0.1104000    
 C   -5.132300       2.013800     -0.4996000    
 C   -5.757000      1.1700000E-02  0.6996000    
 C   -6.098100       1.250100      0.1559000    
 C    3.855100      7.3500000E-02 -2.6000000E-03
 C    3.996700       1.138600      0.8529000    
 C    4.915000     -0.3529000     -0.7561000    
 C    5.234700       1.766700      0.9323000    
 C    6.261200       1.279600      0.1393000    
 H   -3.464300      -2.360600     -0.9297000    
 H   -2.439500      -3.502800     -6.0100000E-02
 H   -1.887100      -2.778200      -1.584400    
 H    1.178700      -2.596400       1.313900    
 H   0.5912000      -3.344100     -0.2150000    
 H  -0.3498000      -3.419700       1.273400    
 H    1.517100       1.159600      0.2195000    
 H   -3.111500       2.150200      -1.153800    
 H   -4.217900      -1.414800       1.056900    
 H   -5.399900       2.975200     -0.9283000    
 H   -6.507500     -0.5789000       1.217000    
 H   -7.115600       1.619900      0.2432000    
 H    3.195100       1.498800       1.489300    
 H    4.845100      -1.186300      -1.447000    
 H    5.393200       2.607200       1.598200    
 H    7.246400       1.733400      0.1656000    


%chk=000004487-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004487

0 1
O -0.673615 1.648600 -0.354239
O 2.826866 -2.009070 0.308473
N -1.855116 -1.694050 -0.026408
N -2.094708 -0.298777 -0.248617
N 1.474398 -0.125769 -0.027240
N 6.333732 0.302729 0.098120
C -0.445319 -1.889441 0.009006
C 0.168957 -0.645184 -0.094351
C -0.858166 0.390378 -0.266040
C -3.381673 0.279235 -0.018663
C -2.712679 -2.624132 -0.801953
C 0.084470 -3.289838 0.114692
C -3.719964 1.479837 -0.692150
C -4.295312 -0.319354 0.886385
C 2.693221 -0.749157 0.182651
C -4.979556 2.070419 -0.459332
C -5.558748 0.274253 1.093391
C -5.907972 1.469108 0.422557
C 3.883228 0.172604 0.240621
C 3.816375 1.567381 0.496883
C 5.169459 -0.404913 0.058000
C 5.012774 2.314210 0.542510
C 6.241782 1.646458 0.335797
H -3.771341 -2.373606 -0.638325
H -2.533823 -3.645513 -0.434303
H -2.492604 -2.577339 -1.886793
H 1.171559 -3.248702 0.277737
H -0.103062 -3.867097 -0.811620
H -0.392143 -3.830614 0.953207
H 1.455460 0.895140 -0.167098
H -2.994943 1.943911 -1.364894
H -4.001005 -1.215515 1.442584
H -5.237227 3.001881 -0.974836
H -6.262714 -0.189415 1.793149
H -6.887041 1.929895 0.591095
H 2.863146 2.074269 0.688838
H 5.248736 -1.481931 -0.120845
H 4.996803 3.389576 0.743909
H 7.191667 2.192034 0.366802


