%chk=000023028.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023028

0 1
 O   -1.105400     -0.1758000      9.5899999E-02
 O   -3.800300      -2.127300     -1.6899999E-02
 O   -4.004900     -0.5489000      -1.540400    
 O   0.2524000       1.286100      -1.021800    
 N   -3.773600     -0.9469000     -0.3905000    
 N    1.109100     -0.4614000      0.2794000    
 C   -3.459100      8.2999997E-02  0.6300000    
 C   -2.163200      0.7763000      0.1963000    
 C   -1.743800       1.863500       1.180300    
 C   -4.682100      0.9812000      0.7369000    
 C   0.1170000      0.3135000     -0.2893000    
 C    2.509100     -0.3156000      0.1500000    
 C    3.347800      -1.203100      0.8055000    
 C    3.016000      0.7114000     -0.6304000    
 C    4.729300      -1.059600      0.6776000    
 C    4.397600      0.8546000     -0.7584000    
 C    5.254200     -3.0999999E-02 -0.1043000    
 H   -3.304000     -0.4555000       1.573400    
 H   -2.306300       1.238800     -0.7899000    
 H  -0.8438000       2.400600      0.8682000    
 H   -2.526800       2.617300       1.303900    
 H   -1.523600       1.430300       2.162800    
 H   -4.826500       1.587800     -0.1644000    
 H   -4.589900       1.665800       1.586100    
 H   -5.595700      0.3955000      0.8936000    
 H   0.7961000      -1.232400      0.8642000    
 H    2.949500      -2.008000       1.417000    
 H    2.417600       1.434200      -1.165600    
 H    5.396400      -1.749100       1.186800    
 H    4.807900       1.655400      -1.367000    
 H    6.329900      8.0700003E-02 -0.2039000    


%chk=000023028-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023028

0 1
O -1.019927 0.227349 0.778952
O -3.294005 -2.276956 0.260487
O -3.088450 -0.861595 -1.516744
O 0.315134 1.680251 -0.518956
N -3.238423 -1.106063 -0.263228
N 1.162476 -0.282599 0.516155
C -3.402357 0.105981 0.681591
C -2.216257 1.061293 0.460489
C -2.252936 2.295649 1.370372
C -4.774135 0.744859 0.400121
C 0.196434 0.644032 0.179451
C 2.542820 -0.270691 0.165667
C 3.342618 -1.344288 0.640201
C 3.128588 0.753879 -0.623051
C 4.716754 -1.393417 0.331107
C 4.506619 0.688862 -0.922120
C 5.309288 -0.375691 -0.452423
H -3.357424 -0.334370 1.691483
H -2.154106 1.356496 -0.603078
H -1.329141 2.878511 1.224318
H -3.105072 2.948935 1.114041
H -2.329984 2.007049 2.433687
H -4.803498 1.185124 -0.611125
H -4.978954 1.533791 1.142272
H -5.574971 -0.009842 0.479506
H 0.827181 -1.070777 1.074962
H 2.889311 -2.138793 1.246725
H 2.510020 1.574497 -0.991931
H 5.322568 -2.227501 0.701768
H 4.954041 1.481559 -1.532146
H 6.376687 -0.414130 -0.693454


