%chk=000049385.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049385

0 1
 O   0.5145000       1.602100     -0.9667000    
 O   -3.264300     -0.3012000     -0.7862000    
 N    1.230200     -0.5430000     -0.3121000    
 N   -1.506500     -0.3945000      0.7385000    
 C    2.308200      -1.096500      0.4725000    
 C    3.354500     -3.9999999E-04  0.4412000    
 C    2.538100       1.281600      0.3292000    
 C   0.1427000      -1.366900     -0.7937000    
 C    1.302100      0.8438000     -0.4211000    
 C  -0.9053000      -1.616700      0.2777000    
 C   -2.641000      0.1632000      0.1648000    
 C   -3.073300       1.428600      0.8560000    
 H    2.673800      -2.027800      3.1099999E-02
 H    1.942500      -1.280000       1.487900    
 H    3.981300     -0.1116000     -0.4526000    
 H    4.011300     -1.3700000E-02   1.315400    
 H    3.075000       2.059700     -0.2185000    
 H    2.238000       1.652400       1.314200    
 H  -0.3186000     -0.8533000      -1.645400    
 H   0.5586000      -2.312700      -1.156800    
 H   -1.688200      -2.272700     -0.1180000    
 H  -0.4621000      -2.107300       1.150600    
 H   -1.068400      7.9099998E-02   1.523400    
 H   -3.817700       1.946100      0.2447000    
 H   -3.511700       1.181700       1.826700    
 H   -2.216800       2.093300       1.000900    


%chk=000049385-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049385

0 1
O 0.553271 1.649731 -0.012225
O -3.773780 -1.056820 0.651055
N 1.427652 -0.535122 -0.168669
N -1.709410 -0.017637 0.370781
C 2.663194 -1.279202 0.173100
C 3.735224 -0.158702 0.313384
C 2.917039 1.118872 0.634530
C 0.214077 -1.200335 -0.693380
C 1.507763 0.816446 0.112355
C -0.971269 -1.284845 0.296365
C -3.080233 0.005511 0.537716
C -3.709845 1.396256 0.574681
H 2.912901 -2.002228 -0.624406
H 2.529503 -1.844912 1.117604
H 4.269058 -0.034391 -0.644595
H 4.480308 -0.400315 1.088433
H 3.309787 2.032112 0.159385
H 2.850004 1.317904 1.720732
H -0.120080 -0.665351 -1.602897
H 0.511240 -2.222273 -0.987862
H -1.689038 -2.059141 -0.033129
H -0.599737 -1.596080 1.295236
H -1.152990 0.845716 0.257931
H -4.489314 1.459597 -0.204132
H -4.209900 1.540233 1.548534
H -2.978525 2.208273 0.423174


