%chk=000040346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040346

0 1
 O   0.6605000      -1.000600      -1.204900    
 O   0.6731000      -1.012000       1.205600    
 N   -3.256500      3.2800000E-02  4.9000001E-03
 C   0.1600000      -1.630800      9.9999997E-05
 C   -1.363700      -1.513000      8.5000005E-03
 C   -1.801200     -5.3500000E-02 -2.2800000E-02
 C   0.5886000      -3.097500     -9.2000002E-03
 C    1.458000     -2.5400000E-02 -0.6872000    
 C    1.465100     -3.1800002E-02  0.6889000    
 C   -3.695000       1.421100     -1.3900000E-02
 C    2.194000      0.8881000      -1.412900    
 C    2.208400      0.8750000       1.415600    
 C    2.956200       1.817700     -0.7013000    
 C    2.963400       1.811100      0.7048000    
 C   -5.210800       1.518600      2.3900000E-02
 H   -1.768600      -1.992600      0.9091000    
 H   -1.779900      -2.030400     -0.8657000    
 H   -1.428600      0.4369000     -0.9294000    
 H   -1.397600      0.4784000      0.8460000    
 H   0.2242000      -3.613400     -0.9037000    
 H    1.681900      -3.176900     -1.3400000E-02
 H   0.2305000      -3.622500      0.8826000    
 H   -3.648300     -0.4641000     -0.7945000    
 H   -3.291300       1.956800      0.8533000    
 H   -3.332200       1.925300     -0.9175000    
 H    2.185300      0.8899000      -2.496900    
 H    2.210900      0.8667000       2.499600    
 H    3.549300       2.553400      -1.237500    
 H    3.562200       2.541800       1.241800    
 H   -5.661100       1.027600     -0.8453000    
 H   -5.614300       1.051600      0.9287000    
 H   -5.522800       2.567900      1.7700000E-02


%chk=000040346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040346

0 1
O 0.656184 -0.863663 -1.218978
O 0.621393 -0.778216 1.186166
N -3.433693 0.064016 -0.074804
C 0.070663 -1.544476 0.002903
C -1.451522 -1.409086 -0.030795
C -1.956911 0.044934 0.023229
C 0.599592 -2.975387 0.062828
C 1.648055 0.020446 -0.739263
C 1.626047 0.072336 0.673312
C -4.043935 1.399894 0.114574
C 2.537766 0.791623 -1.492387
C 2.491395 0.898240 1.395887
C 3.428487 1.635769 -0.770423
C 3.405535 1.688249 0.642590
C -5.573509 1.328273 -0.031628
H -1.881212 -1.972262 0.817550
H -1.802363 -1.900188 -0.960509
H -1.454452 0.644487 -0.773593
H -1.671415 0.489465 0.994188
H 0.241570 -3.549983 -0.808599
H 1.702517 -2.974144 0.057188
H 0.250014 -3.467978 0.986072
H -3.754302 -0.362633 -0.957362
H -3.783749 1.748185 1.133520
H -3.636548 2.163941 -0.595560
H 2.544385 0.746165 -2.584690
H 2.462823 0.933010 2.488198
H 4.143341 2.253011 -1.324447
H 4.102539 2.346018 1.172159
H -5.862400 0.998087 -1.048425
H -5.994193 0.609894 0.693614
H -6.032401 2.318171 0.142485


