%chk=000127336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127336

0 1
 O  -0.1844000       2.501100      0.9218000    
 O    6.091500     -0.7838000     -0.5136000    
 O   -2.368600      -2.877700      0.1300000    
 O  -0.5918000      -1.753800      0.7760000    
 N   -1.754800      0.5356000     -0.4868000    
 N    2.552100      0.1399000      0.1263000    
 N   -3.691500     -0.4029000     -1.8200001E-02
 N   -1.760700      -1.781900      0.2954000    
 C   0.3732000       1.222700      0.6084000    
 C  -0.3107000      0.6997000     -0.6610000    
 C    1.885300       1.398800      0.4303000    
 C    4.015000      0.3055000     -3.5000001E-03
 C   -2.390000     -0.5830000     -5.9000000E-02
 C   -2.680100       1.493200     -0.7386000    
 C    4.694400      -1.002300     -0.3664000    
 C   -3.879000      0.8892000     -0.4411000    
 H   0.1711000      0.5739000       1.466400    
 H   9.3300000E-02 -0.2485000      -1.025200    
 H  -0.1910000       1.423500      -1.478300    
 H    2.077100       2.133900     -0.3623000    
 H    2.294400       1.830600       1.352700    
 H    2.191800     -0.2458000     -0.7452000    
 H    4.435100      0.6807000      0.9378000    
 H    4.244300       1.055100     -0.7713000    
 H   -2.431900       2.483600      -1.094200    
 H  -3.4000000E-03   3.099300      0.1767000    
 H    4.307800      -1.395700      -1.312600    
 H    4.541100      -1.753200      0.4159000    
 H   -4.867600       1.319100     -0.5099000    
 H    6.491200      -1.639700     -0.7444000    


%chk=000127336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127336

0 1
O -0.097150 2.912585 0.838163
O 5.824784 -1.280808 -0.338713
O -1.762489 -3.052267 -0.331025
O 0.030681 -1.657644 -0.584653
N -1.719616 0.597131 -0.495378
N 2.494591 0.281729 0.190152
N -3.416464 -0.825703 0.090314
N -1.248644 -1.880127 -0.403238
C 0.411955 1.609056 0.373996
C -0.398405 1.149381 -0.868458
C 1.926779 1.632760 0.080301
C 3.902430 0.153855 -0.226800
C -2.117729 -0.733096 -0.272229
C -2.843536 1.371064 -0.238501
C 4.445109 -1.223042 0.171325
C -3.875237 0.481258 0.116734
H 0.230484 0.924922 1.219111
H 0.148817 0.376090 -1.424824
H -0.568467 2.016422 -1.532019
H 2.099469 2.109420 -0.925363
H 2.409574 2.287762 0.832340
H 1.886251 -0.457559 -0.186364
H 4.498306 0.931953 0.286813
H 4.060203 0.294055 -1.323333
H -2.810089 2.454989 -0.304604
H 0.278878 3.627368 0.261265
H 3.820044 -2.024245 -0.281638
H 4.409131 -1.329902 1.274383
H -4.900990 0.713846 0.390810
H 6.234535 -2.144151 -0.082468


