%chk=000006877.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006877

0 1
 O    1.885000      0.3587000     -0.1074000    
 O    1.202900      -1.712300      0.6308000    
 N   -1.316200      -2.237600     -0.3703000    
 C  -0.4057000     -2.6200000E-02  0.1266000    
 C   -1.491000     -0.8493000     -0.1746000    
 C  -0.5996000       1.342200      0.3156000    
 C   -2.769900     -0.3038000     -0.2868000    
 C   0.9429000     -0.5649000      0.2507000    
 C   -1.878600       1.887500      0.2033000    
 C    3.253800     -5.3599998E-02 -2.8700000E-02
 C   -2.963800       1.064500     -9.7999997E-02
 C    4.140300       1.094800     -0.4611000    
 H   0.2210000       2.009500      0.5657000    
 H   -3.624500     -0.9336000     -0.5210000    
 H    3.489400     -0.3369000       1.003000    
 H    3.412700     -0.9143000     -0.6876000    
 H   -2.030500       2.952300      0.3536000    
 H   -3.959700       1.489100     -0.1846000    
 H    5.195900      0.8138000     -0.4127000    
 H    3.902200       1.400800      -1.485300    
 H    3.977100       1.969100      0.1777000    
 H  -0.3998000      -2.658700     -0.3072000    
 H   -2.115800      -2.817200     -0.5894000    


%chk=000006877-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006877

0 1
O 1.942242 0.416753 -0.102441
O 1.245013 -1.801505 -0.142290
N -1.392387 -2.273877 -0.121268
C -0.417034 -0.011466 -0.081982
C -1.553691 -0.903672 -0.087969
C -0.632797 1.396812 -0.048353
C -2.865270 -0.329760 -0.060078
C 0.946634 -0.563922 -0.111013
C -1.925768 1.939577 -0.020599
C 3.348844 -0.080826 -0.134259
C -3.044113 1.059942 -0.027334
C 4.246593 1.152705 -0.119927
H 0.245938 2.047890 -0.044222
H -3.735010 -0.998135 -0.064726
H 3.509686 -0.732966 0.743263
H 3.482987 -0.692674 -1.044659
H -2.073523 3.023501 0.004850
H -4.060746 1.469718 -0.006118
H 5.307463 0.843193 -0.143226
H 4.051627 1.792121 -0.997923
H 4.079020 1.751511 0.791699
H -0.434473 -2.644060 -0.143237
H -2.203134 -2.886960 -0.125888


