%chk=000115359.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115359

0 1
 O   -5.668300      -1.102800      0.3843000    
 O    1.035400       2.265600      0.6914000    
 O   0.8209000      -2.422100      0.5279000    
 N   0.8793000     -8.2900003E-02  0.6258000    
 N    2.810000      -1.389400     -9.7700000E-02
 N    3.839800       1.953700     -0.2805000    
 N    4.771000     -2.8600000E-02 -0.6975000    
 C   -3.916500      0.1483000     -0.7364000    
 C   -2.937900      1.8500000E-02  0.4388000    
 C   -5.405800      0.1034000     -0.3354000    
 C   -1.486300     -9.1000004E-03 -5.3700000E-02
 C  -0.4802000     -7.8299999E-02   1.090500    
 C   -5.802600       1.271200      0.5687000    
 C   -6.283600      0.1020000      -1.591300    
 C    1.545300       1.172700      0.4616000    
 C    1.468300      -1.382600      0.3592000    
 C    2.885600       1.017300     -3.1999999E-03
 C    3.481200     -0.1860000     -0.2664000    
 C    3.487300      -2.646300     -0.3913000    
 C    4.956900       1.275400     -0.6948000    
 H   -3.708900       1.075800      -1.284700    
 H   -3.716200     -0.6826000      -1.426400    
 H   -3.064600      0.8610000       1.127300    
 H   -3.134100     -0.9003000       1.002100    
 H   -1.344000     -0.8679000     -0.7216000    
 H   -1.290300      0.8867000     -0.6567000    
 H  -0.6291000      0.7829000       1.753100    
 H  -0.6720000     -0.9716000       1.696300    
 H   -6.871400       1.228600      0.8096000    
 H   -5.278800       1.239000       1.529700    
 H   -5.596600       2.235200      9.2299998E-02
 H   -6.057900     -0.7650000      -2.222700    
 H   -7.344200      2.1100000E-02  -1.326700    
 H   -6.141200       1.011100      -2.184500    
 H   -5.281900      -1.025600       1.272500    
 H    3.744200       2.957200     -0.1972000    
 H    3.792900      -2.648600      -1.442100    
 H    2.835500      -3.505000     -0.2120000    
 H    4.369800      -2.733100      0.2500000    
 H    5.864800       1.788800     -0.9778000    


%chk=000115359-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115359

0 1
O -5.779897 -1.200510 0.280656
O 0.975494 2.298144 0.676037
O 0.837461 -2.423335 0.561629
N 0.933524 -0.074559 0.627815
N 2.845965 -1.389311 -0.066335
N 3.906083 1.989736 -0.322217
N 4.841243 -0.052834 -0.703161
C -3.953462 0.159601 -0.741776
C -2.942849 0.040141 0.421694
C -5.457130 0.116130 -0.342144
C -1.482740 0.001453 -0.083160
C -0.481762 -0.056008 1.090814
C -5.840500 1.250464 0.636396
C -6.341273 0.149815 -1.600423
C 1.569705 1.200311 0.444135
C 1.501108 -1.363199 0.382328
C 2.924603 1.042494 -0.015449
C 3.528926 -0.199290 -0.259659
C 3.504830 -2.683443 -0.331663
C 5.031692 1.291488 -0.727004
H -3.760949 1.105033 -1.288817
H -3.774112 -0.669552 -1.454966
H -3.059416 0.893274 1.119897
H -3.141240 -0.886281 1.002000
H -1.336201 -0.882714 -0.732484
H -1.277282 0.904145 -0.690294
H -0.596190 0.837093 1.728809
H -0.645437 -0.968056 1.688076
H -6.914466 1.181908 0.883401
H -5.269695 1.186284 1.581794
H -5.645854 2.244702 0.193102
H -6.101307 -0.706706 -2.254105
H -7.406401 0.078793 -1.319920
H -6.183182 1.085350 -2.166280
H -5.269257 -1.280670 1.126855
H 3.784221 2.999890 -0.250261
H 3.818775 -2.739308 -1.387364
H 2.778882 -3.478373 -0.108551
H 4.396696 -2.790435 0.307993
H 5.957194 1.776034 -1.026898


