%chk=000004913.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004913

0 1
 O   0.3228000      -1.040000       1.585200    
 N   -3.865300     -5.9900001E-02 -2.2800000E-02
 N  -0.2415000      0.7861000      0.2733000    
 N    6.022400      0.1982000     -0.9225000    
 C   -2.444700     -6.4000003E-02 -0.3704000    
 C   -4.617300     -0.9197000     -0.9361000    
 C   -4.394600       1.303000     -5.1399998E-02
 C   -1.661000      0.8043000      0.6094000    
 C   -4.080500      -2.340900     -0.9193000    
 C   -5.855000       1.333600      0.3668000    
 C   0.6480000     -0.1531000      0.8002000    
 C    2.059400     -5.9700001E-02  0.3484000    
 C    3.057900     -0.5236000       1.180100    
 C    2.328700      0.4871000     -0.8896000    
 C    4.383800     -0.4369000      0.7552000    
 C    3.654500      0.5738000      -1.314400    
 C    4.682100      0.1118000     -0.4921000    
 H   -2.279300      0.2851000      -1.398700    
 H   -2.018800      -1.070400     -0.2991000    
 H   -5.663100     -0.9950000     -0.6209000    
 H   -4.607600     -0.5351000      -1.963700    
 H   -3.893300       1.940800      0.6811000    
 H   -4.278500       1.770800      -1.037000    
 H   -1.788300      0.4565000       1.640600    
 H   -1.926100       1.862600      0.5564000    
 H   -3.140600      -2.441100      -1.471000    
 H   -3.938700      -2.711800      0.1016000    
 H   -4.798700      -3.008100      -1.409700    
 H   -6.521800      0.9541000     -0.4135000    
 H   -6.026100      0.7668000       1.288500    
 H   -6.160300       2.368500      0.5596000    
 H   9.0099998E-02   1.526400     -0.3357000    
 H    2.842200     -0.9490000       2.155700    
 H    1.555900      0.8269000      -1.571100    
 H    5.175800     -0.7995000       1.405500    
 H    3.874000      0.9965000      -2.291600    
 H    6.239200      0.5980000      -1.825800    
 H    6.768100     -0.1346000     -0.3259000    


%chk=000004913-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004913

0 1
O 0.121118 -1.430969 0.608470
N -3.922538 0.073156 -0.290142
N -0.234226 0.837988 0.300990
N 6.235770 0.272280 -0.684113
C -2.478815 0.150831 -0.611612
C -4.558252 -1.211509 -0.680067
C -4.681417 1.280070 -0.701708
C -1.675291 0.723578 0.584782
C -4.130880 -2.380372 0.229242
C -5.939796 1.528445 0.153289
C 0.592866 -0.276507 0.330892
C 2.050498 -0.065502 0.042325
C 2.923991 -1.166393 0.250954
C 2.616600 1.149828 -0.430519
C 4.302717 -1.064070 0.015871
C 3.996169 1.268471 -0.674168
C 4.867330 0.161345 -0.449689
H -2.285238 0.767480 -1.521261
H -2.084222 -0.858736 -0.817399
H -5.654021 -1.085230 -0.603134
H -4.342897 -1.466853 -1.749082
H -4.006442 2.150731 -0.591494
H -4.965205 1.239271 -1.785190
H -1.820912 0.046059 1.443726
H -2.059711 1.722397 0.861954
H -3.036545 -2.532753 0.215257
H -4.428763 -2.176886 1.272774
H -4.608857 -3.322307 -0.100223
H -6.668788 0.702918 0.063090
H -5.661490 1.619177 1.217798
H -6.447577 2.458557 -0.164856
H 0.161444 1.759502 0.122802
H 2.479533 -2.103391 0.602733
H 1.989113 2.025850 -0.638879
H 4.954648 -1.929036 0.189252
H 4.407436 2.215541 -1.044471
H 6.641169 1.143196 -1.014229
H 6.855278 -0.517657 -0.528664


