%chk=000226588.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226588

0 1
 O   -1.889800      0.2210000       1.390100    
 O    1.776800       2.584600     -0.1401000    
 N    1.947000      -1.381000      0.1033000    
 N   -3.872900     -9.4999997E-03  0.1938000    
 N    2.990400      0.7137000      0.4002000    
 N    4.106200      -1.298400      0.8921000    
 N   -4.643500     -0.1721000       1.326800    
 C   -1.817200      0.3055000     -0.9958000    
 C   -1.452800      -1.079000      -1.531200    
 C  -0.5904000       1.220100     -0.8896000    
 C  -0.3411000      -1.752400     -0.7196000    
 C   0.6595000      0.5175000     -0.4336000    
 C   0.7767000     -0.8193000     -0.3416000    
 C   -2.511200      0.1800000      0.3308000    
 C    1.849100       1.361700     -4.7499999E-02
 C    3.013100     -0.5924000      0.4618000    
 H   -2.518100      0.7793000      -1.696700    
 H   -1.115700     -0.9745000      -2.571200    
 H   -2.330500      -1.736200      -1.553700    
 H  -0.8111000       2.063100     -0.2228000    
 H  -0.3861000       1.646700      -1.880400    
 H   5.3599998E-02  -2.590600      -1.307300    
 H  -0.7638000      -2.182100      0.1973000    
 H    1.995100      -2.392100      0.1615000    
 H   -4.335900     -5.0900001E-02 -0.7087000    
 H    4.954700     -0.8258000       1.184100    
 H    4.099800      -2.311800      0.9310000    
 H   -5.113300      -1.072100       1.238100    
 H   -5.377800      0.5335000       1.288700    


%chk=000226588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226588

0 1
O -2.908629 -1.590286 0.386436
O 1.085404 2.672512 -0.032065
N 1.815318 -1.334213 0.181791
N -3.204759 0.693790 0.596960
N 2.470680 0.919231 0.689436
N 3.807356 -0.869020 1.385235
N -3.969326 0.601795 1.792762
C -1.961953 -0.127738 -1.389282
C -1.348832 -1.430261 -1.960972
C -0.856437 0.955780 -1.263425
C -0.247025 -2.002082 -1.037673
C 0.382724 0.433573 -0.568742
C 0.648716 -0.914557 -0.485550
C -2.703709 -0.418504 -0.063496
C 1.316217 1.423749 0.033024
C 2.678904 -0.390142 0.744267
H -2.727520 0.240123 -2.103783
H -0.924375 -1.201003 -2.957075
H -2.134735 -2.193609 -2.090717
H -1.187247 1.864340 -0.727214
H -0.586728 1.312011 -2.278054
H 0.358815 -2.746378 -1.593666
H -0.736578 -2.531807 -0.197148
H 2.008612 -2.335108 0.248250
H -3.054423 1.641624 0.249556
H 4.423811 -0.167035 1.787761
H 4.031281 -1.855661 1.478471
H -4.749384 -0.057443 1.658326
H -3.375381 0.292818 2.576386


