%chk=000122708.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122708

0 1
 O  -0.4949000      1.4600000E-02  0.1048000    
 O   0.3754000      -2.114300      0.2019000    
 N   -4.175700      0.1654000      0.2264000    
 N    1.796800       1.093700     -5.4400001E-02
 N    4.181600     -0.3823000     -5.5799998E-02
 C   -2.799100      0.6545000      0.1581000    
 C   -1.815600     -0.5045000      0.1904000    
 C   -4.449600     -0.7468000     -0.8833000    
 C   -5.117000       1.284500      0.2125000    
 C   0.5108000     -0.9032000      0.1212000    
 C    1.834000     -0.2360000      2.7799999E-02
 C    2.974900     -0.9764000      2.9200001E-02
 C    3.003600       1.687900     -0.1391000    
 C    4.174900      0.9629000     -0.1399000    
 H   -2.588400       1.312900       1.010900    
 H   -2.626300       1.259900     -0.7422000    
 H   -1.946700      -1.177500     -0.6623000    
 H   -1.925200      -1.073400       1.121800    
 H   -3.960800      -1.716200     -0.7460000    
 H   -4.161900     -0.3271000      -1.854300    
 H   -5.520700     -0.9796000     -0.9293000    
 H   -6.146100      0.9247000      0.3230000    
 H   -5.052800       1.868200     -0.7131000    
 H   -4.929400       1.956200       1.057700    
 H    2.991900      -2.056800      9.6199997E-02
 H    2.999100       2.768700     -0.2067000    
 H    5.144200       1.441100     -0.2081000    


%chk=000122708-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122708

0 1
O -0.492932 0.055313 0.092863
O 0.442740 -2.061594 0.367830
N -4.236813 0.115279 0.079511
N 1.973879 1.210544 -0.116682
N 4.327046 -0.414601 0.069438
C -2.841131 0.589657 -0.060587
C -1.854154 -0.549905 0.217527
C -4.698405 -0.693115 -1.068851
C -5.179853 1.207808 0.395919
C 0.567205 -0.822013 0.193781
C 1.904573 -0.143432 0.074317
C 3.073632 -0.947480 0.166479
C 3.226795 1.739522 -0.213091
C 4.392068 0.938085 -0.121500
H -2.662852 1.387409 0.682355
H -2.629563 1.026448 -1.067803
H -1.933562 -1.385585 -0.499885
H -1.981390 -0.949034 1.238541
H -4.036196 -1.562131 -1.223505
H -4.736641 -0.111873 -2.025310
H -5.711714 -1.080225 -0.861878
H -6.182989 0.785140 0.584959
H -5.276071 1.965901 -0.422265
H -4.853302 1.730527 1.312056
H 2.992267 -2.026943 0.319666
H 3.291749 2.821799 -0.365769
H 5.392616 1.375595 -0.200720


