%chk=000012881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012881

0 1
 O    3.509400       1.850100      0.3832000    
 O   1.9400001E-02   1.674000     -0.6220000    
 O    1.411200      -2.662700     -5.7100002E-02
 N  -0.6875000      -1.640500      0.1828000    
 N    1.054500     -0.3930000     -0.4380000    
 C   -1.278900     -0.3013000      3.9900001E-02
 C   -1.811500      0.2330000       1.379400    
 C   -2.326400     -0.2588000      -1.084800    
 C  -1.3300000E-02  0.4731000     -0.3800000    
 C   -2.567600       1.555300       1.250700    
 C   -3.073700       1.071900      -1.171200    
 C   -3.647600       1.488200      0.1777000    
 C    2.398600      1.1300000E-02 -0.8024000    
 C   0.6841000      -1.677500     -0.1015000    
 C    3.188100      0.4671000      0.4073000    
 C    4.592700      0.9205000      0.2523000    
 C   -1.451600      -2.810700      0.5837000    
 H  -0.9915000      0.3576000       2.098200    
 H   -2.498300     -0.4988000       1.822200    
 H   -3.072100      -1.047200     -0.9250000    
 H   -1.859500     -0.4712000      -2.055100    
 H   -1.868800       2.367200       1.019600    
 H   -3.025800       1.806100       2.214500    
 H   -3.886000      0.9846000      -1.902200    
 H   -2.404500       1.855300      -1.544100    
 H   -4.422500      0.7739000      0.4822000    
 H   -4.134300       2.465600      8.4299996E-02
 H    2.908600     -0.8491000      -1.249400    
 H    2.339200      0.8085000      -1.552200    
 H    2.904700      2.0000001E-03   1.341200    
 H    5.262500      0.8146000       1.095800    
 H    5.066900      0.8380000     -0.7169000    
 H   -1.872100      -2.648100       1.578300    
 H  -0.8061000      -3.692600      0.6158000    
 H   -2.252500      -2.988400     -0.1370000    


%chk=000012881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012881

0 1
O 3.270213 1.205135 1.262844
O -0.047093 1.730705 -0.904609
O 1.495098 -2.615672 0.017368
N -0.665716 -1.623677 0.212436
N 1.039837 -0.328749 -0.501668
C -1.279169 -0.279128 0.001304
C -1.805077 0.317863 1.344308
C -2.425468 -0.333539 -1.052711
C -0.063131 0.532606 -0.520169
C -2.515644 1.678354 1.152956
C -3.136933 1.029460 -1.229757
C -3.662135 1.570073 0.120576
C 2.408273 0.053529 -0.869406
C 0.690195 -1.649143 -0.068957
C 3.353947 0.026116 0.320126
C 4.492541 0.993978 0.402956
C -1.373396 -2.802899 0.705263
H -0.966300 0.407551 2.060095
H -2.526807 -0.408991 1.770867
H -3.164636 -1.083191 -0.702343
H -2.022991 -0.696592 -2.017483
H -1.783380 2.431624 0.808810
H -2.906432 2.019920 2.130616
H -3.970537 0.908321 -1.948048
H -2.428077 1.758548 -1.662668
H -4.451533 0.893389 0.511212
H -4.131495 2.560848 -0.027739
H 2.783095 -0.640960 -1.645009
H 2.344915 1.073016 -1.288944
H 3.439004 -0.938983 0.833646
H 5.401517 0.711771 0.947596
H 4.624370 1.738750 -0.392974
H -1.795600 -2.632637 1.713077
H -0.643770 -3.627293 0.764210
H -2.189883 -3.102105 0.022422


