%chk=000028528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028528

0 1
 O   -2.129700      -1.505400     -0.9267000    
 O   -3.488500      0.1549000      0.9988000    
 N    2.718900     -0.3137000     -0.3197000    
 N    3.738900      -2.282200      0.3512000    
 N    4.709500     -0.3329000       1.024600    
 C   0.2103000       1.260200     -0.5460000    
 C    1.529700       1.685500      -1.096500    
 C   -1.610500     -0.3230000     -0.4677000    
 C   -2.264000      0.4760000      0.4738000    
 C  -0.3798000      7.6200001E-02 -0.9893000    
 C  -0.4297000       2.044400      0.4142000    
 C   -3.190000      -1.981700     -9.3400002E-02
 C   -4.150300     -0.8538000      0.2306000    
 C   -1.666900       1.652800      0.9263000    
 C    2.726700       1.151600     -0.3011000    
 C    3.675400     -0.9089000      0.3208000    
 H    1.610700       1.359200      -2.141900    
 H    1.580400       2.781500      -1.127800    
 H   0.1167000     -0.5422000      -1.733200    
 H   2.4800001E-02   2.965300      0.7702000    
 H   -2.753800      -2.414800      0.8153000    
 H   -3.708300      -2.778000     -0.6367000    
 H   -4.554000     -0.3928000     -0.6793000    
 H   -4.989400      -1.228100      0.8252000    
 H   -2.162300       2.273700       1.667700    
 H    3.646300       1.533200     -0.7608000    
 H    2.670300       1.520600      0.7307000    
 H    3.044000      -2.849000     -0.1226000    
 H    4.478200      -2.768200      0.8469000    
 H    5.406600     -0.9041000       1.490000    
 H    4.815900      0.6721000       1.104400    


%chk=000028528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028528

0 1
O -1.845929 -1.661912 -0.540873
O -3.615567 0.238855 0.825542
N 2.935892 -0.218167 -0.615351
N 3.631946 -2.404960 -0.103997
N 4.464584 -0.661034 1.226274
C 0.256762 1.419433 -0.524197
C 1.630663 1.863745 -1.003387
C -1.461501 -0.317078 -0.295808
C -2.316497 0.598139 0.378384
C -0.194419 0.095407 -0.748315
C -0.596088 2.317535 0.172374
C -3.007369 -2.083919 0.267778
C -4.102954 -1.014248 0.214004
C -1.873397 1.913170 0.617126
C 2.815764 1.205687 -0.244866
C 3.650185 -1.021923 0.138330
H 1.762115 1.621498 -2.074922
H 1.714992 2.962990 -0.899400
H 0.457658 -0.623448 -1.252356
H -0.263876 3.345771 0.358130
H -2.686195 -2.249098 1.315242
H -3.346160 -3.035302 -0.173647
H -4.397189 -0.820898 -0.836451
H -4.987789 -1.306907 0.802385
H -2.544499 2.604273 1.137157
H 3.740588 1.760437 -0.528020
H 2.664994 1.357208 0.851832
H 2.994931 -2.700389 -0.842146
H 4.484987 -2.946563 0.028604
H 4.653252 -1.333681 1.966600
H 4.606217 0.323780 1.431976


