%chk=000051919.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051919

0 1
 O    1.942100      0.7563000      2.2000000E-02
 O   -6.118800      -1.537600      -1.260200    
 O   -5.612600      -2.393800      0.7016000    
 O    2.442800     -0.2156000       2.054900    
 N   -5.430400      -1.554000     -0.2120000    
 N   0.2754000       2.147800      -1.451200    
 N   0.7681000       1.155000      0.6758000    
 C   -2.398500       1.306900      0.2546000    
 C   -1.308900       2.333600      0.4219000    
 C   -3.169600       1.311900     -0.8986000    
 C   -2.613900      0.3714000       1.256200    
 C   -4.404400     -0.5852000     -5.3700000E-02
 C   -4.178000      0.3608000      -1.053600    
 C   -3.622300     -0.5798000       1.101300    
 C   1.5100000E-02   1.837300     -0.1366000    
 C    3.961900     -0.3901000      0.2269000    
 C    5.100800     -0.5464000      0.9896000    
 C    3.948000     -0.6268000      -1.132200    
 C    2.707800      4.7300000E-02  0.8918000    
 C    6.278500     -0.9575000      0.3654000    
 C    5.125800      -1.038100      -1.756400    
 C    6.291000      -1.203400      -1.007400    
 H   -1.589700       3.270700     -7.4699998E-02
 H   -1.181400       2.580200       1.483600    
 H   -3.000700       2.043800      -1.683500    
 H   -2.009200      0.3664000       2.158800    
 H   -4.767000      0.3870000      -1.966900    
 H   -3.769300      -1.301300       1.901000    
 H    1.134600       1.845100      -1.897200    
 H  -0.3775000       2.679500      -2.017100    
 H    5.104400     -0.3549000       2.058500    
 H    3.051900     -0.5196000      -1.736000    
 H    7.186000      -1.085700      0.9482000    
 H    5.135200      -1.232800      -2.824900    
 H    7.207900      -1.524200      -1.493300    


%chk=000051919-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051919

0 1
O 2.080057 0.730332 0.178720
O -6.961179 -0.772109 -1.086105
O -5.853091 -2.518820 -0.124447
O 3.315576 1.235652 2.123223
N -5.928755 -1.287583 -0.505811
N 0.126278 1.388641 -1.412223
N 0.887052 1.323484 0.881745
C -2.531951 1.250191 0.191316
C -1.330307 2.152285 0.462014
C -3.695216 1.761481 -0.438838
C -2.506090 -0.113120 0.591366
C -4.756035 -0.410632 -0.263770
C -4.815970 0.938412 -0.671262
C -3.613787 -0.950956 0.368971
C -0.019879 1.581921 -0.058106
C 4.334995 -0.054000 0.321258
C 5.627381 0.008801 0.905389
C 4.131073 -0.821707 -0.855312
C 3.235252 0.695718 1.004813
C 6.705556 -0.680180 0.313746
C 5.212260 -1.512888 -1.442061
C 6.500971 -1.441331 -0.861910
H -1.495275 3.151343 0.016809
H -1.199964 2.296773 1.549765
H -3.728640 2.813907 -0.743604
H -1.610148 -0.509936 1.081949
H -5.721450 1.315276 -1.153941
H -3.614387 -2.001127 0.672492
H 1.007588 1.018378 -1.762171
H -0.639292 1.570220 -2.055497
H 5.760387 0.598162 1.818589
H 3.129916 -0.886516 -1.290639
H 7.701425 -0.626962 0.766454
H 5.051988 -2.110085 -2.346325
H 7.338760 -1.978827 -1.319995


