%chk=000126616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126616

0 1
 O    2.570000      -1.423500      -1.451100    
 O  -0.3156000       2.659700     -0.7903000    
 O   -2.953300       2.012300     -0.4974000    
 O  -0.1681000       3.040800       1.502300    
 N   0.7464000      -1.923300     -4.9300000E-02
 N    3.856400     -0.9071000      -1.353800    
 C   -1.642900      -1.323200      4.9999999E-03
 C   -2.574300     -0.2842000     -0.1163000    
 C  -0.1943000      -1.035800     -0.1433000    
 C   -2.140700       1.100900     -0.3906000    
 C   0.1978000      0.3666000     -0.4185000    
 C  -0.6910000       1.356900     -0.5340000    
 C   -2.104400      -2.621400      0.2652000    
 C    2.892300     -0.9720000      0.7085000    
 C   -3.945600     -0.5424000      2.1199999E-02
 C    2.051700      -1.440400     -0.2226000    
 C    4.026200     -0.6448000     -5.4800000E-02
 C   -3.471900      -2.873700      0.4013000    
 C   -4.390900      -1.836600      0.2797000    
 C    2.700800     -0.8275000       2.161300    
 C    5.302000     -7.6700002E-02  0.4120000    
 C  -8.0499999E-02   3.405400      0.3367000    
 C   0.3300000       4.790000     -7.1099997E-02
 H    1.225800      0.6742000     -0.5589000    
 H   -1.408500      -3.450500      0.3651000    
 H   -4.682000      0.2517000     -6.9799997E-02
 H   -3.817400      -3.883600      0.6028000    
 H   -5.453300      -2.035600      0.3859000    
 H    2.473500      0.2133000       2.413700    
 H    1.877500      -1.451300       2.524200    
 H    3.602800      -1.122600       2.707100    
 H    5.847700     -0.8084000       1.016400    
 H    5.947200      0.2183000     -0.4224000    
 H    5.127200      0.8125000       1.026400    
 H  -0.4643000       5.253400     -0.6618000    
 H    1.260800       4.747200     -0.6423000    
 H   0.4963000       5.397300      0.8233000    


%chk=000126616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126616

0 1
O 2.956056 0.459778 0.100939
O -0.719217 3.289739 -1.014177
O -3.287453 2.233977 -0.828665
O -1.768625 4.325721 0.817449
N 1.013509 -1.001272 0.539335
N 4.406386 0.311509 0.198298
C -1.369264 -0.710141 0.367198
C -2.495194 0.107074 0.041463
C 0.008637 -0.173484 0.229720
C -2.319855 1.499602 -0.448333
C 0.172607 1.210411 -0.211039
C -0.913352 1.995025 -0.507764
C -1.592408 -2.037434 0.818684
C 3.377320 -1.675378 0.847324
C -3.809956 -0.408422 0.170546
C 2.348748 -0.779648 0.506969
C 4.607749 -0.959246 0.641307
C -2.901074 -2.540367 0.946418
C -4.016150 -1.724701 0.622230
C 3.206510 -3.085062 1.325604
C 6.010762 -1.451020 0.854993
C -1.380792 4.396870 -0.355623
C -1.438614 5.566479 -1.300179
H 1.179217 1.626304 -0.302840
H -0.720898 -2.650614 1.062683
H -4.647341 0.246840 -0.089354
H -3.058754 -3.565665 1.298184
H -5.032729 -2.118817 0.723632
H 3.621652 -3.220258 2.342615
H 2.136527 -3.347466 1.350509
H 3.728690 -3.802514 0.664702
H 6.222794 -2.330826 0.220450
H 6.734725 -0.658422 0.606264
H 6.168831 -1.752398 1.906540
H -2.258102 5.396212 -2.021625
H -0.501378 5.650929 -1.873329
H -1.636166 6.492588 -0.741328


