%chk=000121150.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121150

0 1
 O  -4.1900001E-02   2.034300     -0.1441000    
 O   -2.747200       1.551600     -0.1271000    
 O   -3.689800      -1.038100      0.1353000    
 O    2.575200      -1.098500     -0.3953000    
 N    2.514500      0.9496000      0.5024000    
 N    3.837400      0.6270000      0.2636000    
 N    4.849600      -1.352500     -0.6749000    
 C   0.3976000     -0.3095000      0.1094000    
 C  -0.4968000      0.7537000     -1.5300000E-02
 C   -1.871000      0.5137000     -6.3000000E-03
 C   -2.350500     -0.7894000      0.1274000    
 C  -8.2099997E-02  -1.612500      0.2432000    
 C   -1.456100      -1.852500      0.2522000    
 C    1.824700     -8.4200002E-02  0.1024000    
 C    3.825000     -0.5765000     -0.2599000    
 C   0.1555000       2.772900       1.058300    
 C   -3.148300       1.908900      -1.447700    
 C   -4.095800      -2.398100      0.2761000    
 H   0.5912000      -2.459700      0.3508000    
 H   -1.756000      -2.888900      0.3613000    
 H   0.9005000       3.550100      0.8672000    
 H   0.5060000       2.141700       1.881700    
 H  -0.7841000       3.254300       1.346000    
 H   -3.656300       1.071600      -1.936300    
 H   -2.283800       2.221500      -2.041700    
 H   -3.845800       2.748100      -1.378300    
 H   -3.785600      -2.814300       1.240700    
 H   -3.760900      -3.008800     -0.5692000    
 H   -5.190700      -2.410400      0.2625000    
 H    5.814600      -1.045100     -0.6119000    
 H    4.697800      -2.276500      -1.066000    


%chk=000121150-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121150

0 1
O 0.085793 2.040396 -0.314318
O -2.633370 1.649664 0.014645
O -3.695945 -0.925261 0.071457
O 2.805577 -1.245429 -0.343703
N 2.684940 0.886969 0.491298
N 4.079521 0.528617 0.373602
N 5.163423 -1.516924 -0.397903
C 0.515383 -0.352642 0.007178
C -0.392289 0.750579 -0.071890
C -1.793465 0.526085 -0.030195
C -2.300121 -0.806795 0.033874
C -0.013327 -1.668319 0.048434
C -1.400902 -1.900537 0.053856
C 1.956067 -0.143300 0.064654
C 4.089756 -0.720307 -0.113378
C 0.123201 2.960466 0.845030
C -3.531898 1.835562 -1.146437
C -4.257555 -2.273532 0.204075
H 0.677821 -2.515070 0.090692
H -1.771662 -2.928304 0.094782
H 0.444247 3.928147 0.431722
H 0.870763 2.602194 1.574624
H -0.882168 3.048261 1.294398
H -4.231623 0.986764 -1.235765
H -2.938100 1.950004 -2.072565
H -4.083341 2.764551 -0.936872
H -3.904726 -2.761875 1.132355
H -4.003620 -2.903838 -0.670015
H -5.346099 -2.125250 0.252186
H 6.096026 -1.149085 -0.236066
H 5.034592 -2.438291 -0.803257


