%chk=000022428.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022428

0 1
 O   -1.832100      -2.911500      0.2770000    
 O   0.1362000      -2.118400      0.8388000    
 N   -1.046800      -1.951800      0.4593000    
 N   0.6485000      0.3100000      0.8388000    
 N    1.399200      0.1871000     -0.1537000    
 N    3.929800      -1.495600      -1.583800    
 N    3.838600       2.418000      0.4394000    
 C   -3.309300      0.8491000     -0.4301000    
 C   -1.513900     -0.6281000      0.2269000    
 C   -2.829800     -0.4397000     -0.1960000    
 C  -0.6776000      0.4723000      0.4155000    
 C   -2.472900       1.949400     -0.2414000    
 C   -1.157100       1.761100      0.1814000    
 C   -4.715900       1.051300     -0.8824000    
 C    2.797200      1.6000001E-02  0.2401000    
 C    3.428300     -0.8261000     -0.7791000    
 C    3.377500       1.356800      0.3494000    
 H   -3.504800      -1.278700     -0.3496000    
 H   -2.834500       2.958900     -0.4183000    
 H  -0.5144000       2.625600      0.3264000    
 H   -5.018400      0.2646000      -1.581900    
 H   -5.392600       1.039100     -2.2200000E-02
 H   -4.834900       2.007000      -1.404400    
 H    2.873200     -0.4958000       1.208800    


%chk=000022428-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022428

0 1
O -2.250780 -2.889916 1.055647
O -0.148731 -2.581032 0.211411
N -1.339380 -2.165015 0.496666
N 0.688153 -0.121867 0.359824
N 1.614832 0.461309 -0.326697
N 4.639938 -0.683094 -1.613982
N 3.827453 2.358480 1.541185
C -3.409921 0.860257 -0.445640
C -1.682462 -0.768916 0.151206
C -3.036830 -0.445507 -0.040993
C -0.651438 0.193888 -0.032734
C -2.379761 1.817947 -0.653025
C -1.025341 1.498342 -0.444185
C -4.867793 1.224116 -0.636243
C 2.987195 0.143591 0.310029
C 3.909612 -0.300807 -0.754522
C 3.474516 1.366864 0.982641
H -3.786296 -1.227396 0.114252
H -2.648149 2.830001 -0.975786
H -0.239574 2.249518 -0.572573
H -5.445340 0.381735 -1.054262
H -5.334463 1.490221 0.331869
H -4.984996 2.090949 -1.308172
H 2.863058 -0.663069 1.062983


