%chk=000046720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046720

2 1
 N   -1.069100     -0.9423000     -0.6700000    
 N    3.736000     -0.1306000     -0.3767000    
 C    1.326900     -0.5411000     -0.5291000    
 C   0.2087000      -1.194000      -1.331000    
 C    2.679600     -0.7696000      -1.191000    
 C   -1.760700      0.1552000      -1.002800    
 C   -2.986200      0.4290000     -0.3923000    
 C   -1.502900      -1.817400      0.2444000    
 C   -3.472100     -0.4752000      0.5771000    
 C   -2.712600      -1.609100      0.8914000    
 C   -3.737100       1.569500     -0.7170000    
 C    4.314800     -0.8538000      0.5792000    
 C    4.053200       1.134500     -0.6423000    
 C   -4.703400     -0.2137000       1.200300    
 C   -4.958000       1.814000     -8.8200003E-02
 C   -5.440300      0.9243000      0.8685000    
 C    5.309500     -0.2803000       1.358300    
 C    5.040700       1.759700      0.1057000    
 C    5.673000       1.040800       1.115500    
 H    1.137600      0.5348000     -0.4294000    
 H    1.337800     -0.9418000      0.4920000    
 H   0.1587000     -0.7957000      -2.351200    
 H   0.3520000      -2.277900      -1.413300    
 H    2.912300      -1.837200      -1.280300    
 H    2.715300     -0.3415000      -2.199700    
 H   -1.321300      0.8045000      -1.752100    
 H  -0.8767000      -2.676100      0.4554000    
 H   -3.053300      -2.326500       1.632800    
 H   -3.377100       2.276200      -1.461600    
 H    3.982100      -1.874800      0.7198000    
 H    3.519900       1.638900      -1.438700    
 H   -5.099200     -0.8950000       1.950400    
 H   -5.532800       2.699000     -0.3452000    
 H   -6.391100       1.115700       1.357300    
 H    5.793700     -0.8510000       2.143400    
 H    5.313900       2.790500     -9.2500001E-02
 H    6.448400       1.510200       1.713600    


%chk=000046720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046720

2 1
N -1.129174 -0.797460 -0.623574
N 3.888558 -0.136932 -0.376318
C 1.369462 -0.425997 -0.436039
C 0.203239 -1.012294 -1.275989
C 2.718369 -0.663737 -1.163454
C -1.957933 0.198369 -1.053532
C -3.221529 0.422011 -0.455791
C -1.507454 -1.639121 0.429280
C -3.634144 -0.438884 0.644764
C -2.730312 -1.472862 1.057371
C -4.094877 1.462461 -0.917469
C 4.555138 -0.969897 0.497070
C 4.278446 1.176467 -0.531950
C -4.907233 -0.229907 1.249893
C -5.335657 1.640740 -0.303073
C -5.741005 0.794285 0.781347
C 5.642708 -0.496774 1.244370
C 5.360716 1.690113 0.195557
C 6.056880 0.848884 1.096849
H 1.207849 0.656724 -0.279654
H 1.392893 -0.902980 0.561418
H 0.167834 -0.545327 -2.275376
H 0.332413 -2.099518 -1.422761
H 2.890522 -1.740680 -1.333751
H 2.728778 -0.166303 -2.148831
H -1.607964 0.808993 -1.890838
H -0.804265 -2.429516 0.696756
H -3.003195 -2.153087 1.869134
H -3.788614 2.106877 -1.748461
H 4.205818 -2.003033 0.560267
H 3.718873 1.777144 -1.252749
H -5.229367 -0.872390 2.075514
H -6.010842 2.429049 -0.648557
H -6.719651 0.953568 1.244653
H 6.159946 -1.179919 1.922286
H 5.656102 2.731399 0.046329
H 6.908874 1.231737 1.666010


