%chk=000046266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046266

0 1
 O    1.992600      0.1773000      -1.852900    
 O   -2.383800       2.076600      9.5200002E-02
 N    4.013100      0.3400000      0.1569000    
 C    1.773000     -0.3925000     -0.5596000    
 C    2.586800      0.3792000      0.5035000    
 C   0.2787000     -0.3662000     -0.3189000    
 C    2.425600     -0.2079000       1.906900    
 C  -0.3687000      0.8529000     -0.2219000    
 C  -0.4068000      -1.562800     -0.2019000    
 C   -2.453200     -0.3198000      0.1194000    
 C   -1.745800      0.8764000     -1.0000000E-03
 C   -1.783700      -1.539300      1.8999999E-02
 C   -3.927700     -0.3139000      0.3554000    
 H    2.125200      -1.430400     -0.6126000    
 H    2.299000       1.436200      0.5262000    
 H    1.394000     -0.1133000       2.260600    
 H    2.695900      -1.269700       1.932200    
 H    3.062600      0.3189000       2.626800    
 H   0.1767000       1.786500     -0.3255000    
 H   0.1037000      -2.518300     -0.2779000    
 H    4.145300      0.7009000     -0.7871000    
 H    4.335200     -0.6273000      0.1348000    
 H   -2.320100      -2.480100      0.1105000    
 H    2.197400       1.121500      -1.746000    
 H   -4.442700      0.1898000     -0.4692000    
 H   -4.334800      -1.328100      0.4275000    
 H   -4.160600      0.2018000       1.292900    
 H   -1.733700       2.792100     -1.1900000E-02


%chk=000046266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046266

0 1
O 2.042849 0.642517 -1.749614
O -2.724035 1.996545 -0.639906
N 3.909869 0.653438 0.081383
C 1.742144 -0.261479 -0.644402
C 2.572168 0.239849 0.601848
C 0.244290 -0.283061 -0.381949
C 2.636627 -0.797434 1.738872
C -0.530594 0.868285 -0.651530
C -0.392815 -1.426067 0.156091
C -2.571270 -0.256766 0.187682
C -1.913216 0.872194 -0.372011
C -1.778648 -1.400468 0.438308
C -4.058170 -0.216522 0.470259
H 2.085857 -1.295273 -0.884714
H 2.077164 1.161700 0.963148
H 1.623668 -1.077282 2.076970
H 3.148007 -1.719738 1.398730
H 3.191624 -0.398005 2.607185
H -0.035063 1.727668 -1.120618
H 0.184383 -2.340199 0.339652
H 4.327859 1.446887 0.576674
H 4.573457 -0.127364 0.003159
H -2.263695 -2.292223 0.853206
H 2.986791 0.940659 -1.525905
H -4.632424 -0.002858 -0.450081
H -4.407885 -1.176234 0.887950
H -4.307776 0.589872 1.184469
H -2.187966 2.711860 -1.063453


