%chk=000126628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126628

0 1
 O    2.179400       1.529800     -0.8353000    
 O   -4.405900      -1.396600      7.5999998E-02
 N    1.743200      0.4778000     -0.2530000    
 N    3.811500     -0.2976000      0.1354000    
 N    2.454800     -0.4715000      0.2202000    
 N   -4.648800      0.8537000      0.2429000    
 C   0.3032000      0.2820000     -0.1572000    
 C   -2.422400     -8.8100001E-02  2.3499999E-02
 C  -0.5105000       1.387900     -3.3799998E-02
 C  -0.1967000      -1.002300     -0.1934000    
 C   -1.889700       1.200500      5.7799999E-02
 C   -1.575900      -1.189600     -0.1021000    
 C   -3.860400     -0.2837000      0.1191000    
 C    4.492300      0.3607000       1.240300    
 C    4.525900      -1.363000     -0.5404000    
 H  -0.1097000       2.396500      1.9000000E-03
 H   0.4397000      -1.875100     -0.3037000    
 H   -2.482900       2.101600      0.1547000    
 H   -1.969800      -2.202100     -0.1335000    
 H    4.615400     -0.3512000       2.061100    
 H    3.900400       1.216100       1.577900    
 H    5.469200      0.7148000      0.9002000    
 H    3.969400      -1.667800      -1.431700    
 H    4.634600      -2.213300      0.1387000    
 H    5.511000     -0.9993000     -0.8454000    
 H   -4.319600       1.809200      0.2835000    
 H   -5.657200      0.7520000      0.3036000    


%chk=000126628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126628

0 1
O 2.179552 1.817686 0.402628
O -4.429627 -1.494689 0.072841
N 1.755206 0.575650 0.149014
N 3.873574 -0.354074 -0.097056
N 2.507497 -0.500382 -0.109493
N -4.811882 0.783132 -0.085386
C 0.315611 0.322485 0.121823
C -2.486604 -0.034252 0.063379
C -0.532041 1.427202 0.359795
C -0.218327 -0.965618 -0.130576
C -1.928204 1.242159 0.330213
C -1.612958 -1.131536 -0.156863
C -3.967227 -0.312373 0.021690
C 4.648555 0.530330 0.811783
C 4.546105 -1.605912 -0.492368
H -0.076198 2.398651 0.564623
H 0.454989 -1.808315 -0.297255
H -2.568592 2.104232 0.550955
H -2.061487 -2.113455 -0.338117
H 4.759506 0.060450 1.812244
H 4.130212 1.493005 0.913139
H 5.650571 0.672152 0.372198
H 3.899188 -2.157691 -1.189316
H 4.767980 -2.248199 0.385130
H 5.495828 -1.356901 -0.996716
H -4.475513 1.732494 -0.227420
H -5.815214 0.605167 -0.103591


