%chk=000128325.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128325

0 1
 O    1.273300     -0.2861000      0.2352000    
 O    2.379900      0.7517000      -2.181900    
 O    2.980300      0.5043000       2.381500    
 O    2.484700      -2.213800     -0.1003000    
 O   -1.559300      -1.214600      -1.771400    
 N    2.464400      0.4039000      0.1160000    
 N   -1.012800      -1.551700      0.4580000    
 C    4.236300       1.515900     -0.8296000    
 C    4.435700       1.433600      0.6853000    
 C    2.909900      0.8532000      -1.086300    
 C    3.211200      0.7289000       1.203400    
 C   0.1167000      -2.406200      0.2320000    
 C    1.416000      -1.646300      0.1026000    
 C   -2.894100     -0.1279000     -0.1790000    
 C   -1.772000      -1.016000     -0.5782000    
 C   -3.315300      0.8486000      -1.057400    
 C   -3.478200     -0.3079000       1.057500    
 C   -4.368600       1.682700     -0.6824000    
 C   -4.531500      0.5262000       1.432500    
 C   -4.976700       1.521400      0.5625000    
 H    5.027100      0.9815000      -1.364200    
 H    4.203700       2.555100      -1.169700    
 H    4.506500       2.430000       1.131000    
 H    5.330000      0.8564000      0.9376000    
 H  -3.9999999E-02  -2.982300     -0.6847000    
 H   0.1931000      -3.079200       1.090700    
 H   -1.187300      -1.278000       1.418900    
 H   -2.849200      0.9907000      -2.027800    
 H   -3.184300      -1.091200       1.748300    
 H   -4.714800       2.458400      -1.359300    
 H   -5.010500      0.3961000       2.398600    
 H   -5.797900       2.169800      0.8538000    


%chk=000128325-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128325

0 1
O 1.387703 -0.146656 -0.086666
O 3.088622 0.756654 -2.279277
O 2.737353 0.346108 2.403170
O 2.596790 -2.176272 -0.250219
O -2.144872 -1.734025 -1.783765
N 2.656911 0.482761 0.039797
N -0.964395 -1.362055 0.178302
C 4.688064 1.530619 -0.501490
C 4.573183 1.399181 1.042822
C 3.421533 0.897149 -1.088912
C 3.244152 0.689834 1.316690
C 0.125860 -2.224909 -0.253960
C 1.507740 -1.598563 -0.208707
C -3.138122 -0.239150 -0.139808
C -2.066590 -1.161547 -0.650727
C -4.054709 0.280165 -1.089864
C -3.282905 0.109993 1.228931
C -5.085219 1.152052 -0.683722
C -4.318410 0.979533 1.635003
C -5.217833 1.507384 0.679734
H 5.564018 1.000767 -0.911919
H 4.750329 2.578333 -0.841246
H 4.569222 2.374340 1.559009
H 5.387135 0.799459 1.483718
H -0.102624 -2.518806 -1.300171
H 0.188553 -3.159604 0.336462
H -0.841941 -0.794883 1.017055
H -3.937974 -0.019195 -2.136409
H -2.621970 -0.314980 1.994061
H -5.784635 1.552754 -1.425294
H -4.428629 1.237947 2.693686
H -6.020040 2.182812 0.996919


