%chk=000116002.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116002

0 1
 O  -0.4202000      -1.043500      0.5155000    
 N   0.8550000      0.8318000      5.7599999E-02
 N    1.857800      -1.340400      0.2409000    
 N    3.222600      0.5748000     -0.2359000    
 N    2.214200       2.684700     -0.4097000    
 N    4.174100      -1.560600     -5.0999999E-02
 C   -1.542400     -0.3949000     -7.2999999E-02
 C   -2.055100      0.6960000      0.8661000    
 C   -2.626700      -1.426200     -0.3827000    
 C   -3.318400       1.355800      0.3231000    
 C   -3.890100     -0.7666000     -0.9257000    
 C   -4.401200      0.3252000      1.1400000E-02
 C   0.8098000     -0.4971000      0.2621000    
 C    2.091300       1.296300     -0.1850000    
 C    3.029200     -0.7353000     -1.3700000E-02
 H   -1.255900      5.7200000E-02  -1.034300    
 H   -2.262400      0.2581000       1.851700    
 H   -1.300600       1.467600       1.046500    
 H   -2.863400      -1.996100      0.5253000    
 H   -2.245700      -2.160500      -1.102600    
 H   -3.074700       1.916500     -0.5877000    
 H   -3.699300       2.079900       1.052000    
 H   -4.669100      -1.523700      -1.069400    
 H   -3.680600     -0.3325000      -1.911100    
 H   -5.265600      0.8241000     -0.4408000    
 H   -4.748500     -0.1315000      0.9465000    
 H    1.389200       3.267700     -0.3803000    
 H    3.125700       3.079500     -0.5959000    
 H    5.077700      -1.148900     -0.2388000    
 H    4.076600      -2.553500      0.1107000    


%chk=000116002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116002

0 1
O -0.392260 -1.094255 0.074906
N 0.928606 0.801120 -0.422754
N 1.879977 -1.308071 0.332455
N 3.349595 0.586514 -0.171532
N 2.370494 2.582897 -0.905498
N 4.199889 -1.467716 0.569386
C -1.609030 -0.281641 -0.268307
C -2.054518 0.531660 0.959738
C -2.668972 -1.299634 -0.709363
C -3.401846 1.242348 0.674930
C -4.014640 -0.587472 -0.996074
C -4.488042 0.234260 0.227287
C 0.841418 -0.497499 -0.009878
C 2.216275 1.285547 -0.488229
C 3.111597 -0.705572 0.233738
H -1.339034 0.402863 -1.094503
H -2.169876 -0.160682 1.817146
H -1.271984 1.266765 1.220550
H -2.802258 -2.045908 0.098250
H -2.312462 -1.845326 -1.602398
H -3.257424 2.001308 -0.122181
H -3.730590 1.789978 1.578728
H -4.778267 -1.337538 -1.276581
H -3.897498 0.089806 -1.867615
H -5.429408 0.766595 -0.010142
H -4.710676 -0.457489 1.065874
H 1.547054 3.125823 -1.150208
H 3.306492 2.974392 -0.966738
H 5.129805 -1.062255 0.509112
H 4.050884 -2.426916 0.871701


