%chk=000000866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000866

0 1
 O   -2.207500       1.618500     -0.7760000    
 O   -2.537500      0.6972000       1.268200    
 N   -1.855800      -1.760000      0.5238000    
 N    4.539200      0.3714000      0.1142000    
 C   0.7841000     -0.2591000      7.5400002E-02
 C  -0.2456000     -0.6468000     -0.9944000    
 C    2.209200     -0.1237000     -0.4668000    
 C   -1.693800     -0.7206000     -0.4939000    
 C    3.189200      0.2388000      0.6489000    
 C   -2.181500      0.5844000      0.1007000    
 H   0.7870000      -1.012000      0.8722000    
 H   0.4945000      0.6921000      0.5378000    
 H   3.8300000E-02  -1.612800      -1.431900    
 H  -0.1914000      8.6700000E-02  -1.809200    
 H    2.229900      0.6466000      -1.247800    
 H    2.510100      -1.068600     -0.9364000    
 H   -2.359700     -0.9665000      -1.328900    
 H    3.181500     -0.5330000       1.426300    
 H    2.895900       1.185400       1.115300    
 H   -1.290600      -1.544700       1.343600    
 H   -1.505200      -2.647300      0.1647000    
 H    4.833900     -0.5131000     -0.2977000    
 H    5.187800      0.5614000      0.8771000    
 H   -2.534000       2.444100     -0.3589000    


%chk=000000866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000866

0 1
O -2.405992 1.530850 -0.800971
O -2.384611 0.696758 1.365067
N -1.874424 -1.861248 0.430827
N 4.635523 0.251893 0.111047
C 0.790697 -0.190344 0.087740
C -0.221355 -0.542402 -1.022549
C 2.243217 -0.139768 -0.435148
C -1.694645 -0.761440 -0.517309
C 3.264746 0.225752 0.661442
C -2.197634 0.517895 0.140392
H 0.713148 -0.936045 0.905517
H 0.529475 0.790611 0.535222
H 0.088005 -1.483034 -1.523084
H -0.228661 0.247623 -1.797855
H 2.336387 0.598127 -1.255172
H 2.511281 -1.128080 -0.867590
H -2.318775 -0.921252 -1.419865
H 3.132667 -0.479039 1.520627
H 3.032541 1.238380 1.044866
H -1.877652 -1.588105 1.416113
H -1.372346 -2.722219 0.214217
H 4.945872 -0.649254 -0.266970
H 5.336551 0.666083 0.732641
H -2.706012 2.356656 -0.332905


