%chk=000023222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023222

0 1
 O    3.537200      -1.242500     -0.8013000    
 O    5.235000       1.006200     -0.9351000    
 N    1.949600      -1.055200      0.8869000    
 N    3.472800      0.6514000      0.5559000    
 N    4.719800       2.584900      0.6534000    
 C  -0.9589000      -1.245900      0.1583000    
 C   0.1356000      -2.206600     -0.3156000    
 C   -2.093300      -1.152700     -0.8652000    
 C    1.290600      -2.314100      0.6747000    
 C   -3.162600     -0.1854000     -0.4261000    
 C   -4.227400     -0.6452000      0.3345000    
 C   -3.065100       1.149600     -0.7899000    
 C   -5.217200      0.2499000      0.7405000    
 C   -4.054700       2.044800     -0.3838000    
 C    3.034200     -0.6098000      0.1257000    
 C   -5.130700       1.594900      0.3813000    
 C    4.535000       1.375600      5.7999999E-03
 H   -1.352500      -1.586000       1.124500    
 H  -0.5366000     -0.2470000      0.3230000    
 H   0.5178000      -1.869900      -1.287300    
 H  -0.2947000      -3.203600     -0.4671000    
 H   -1.697300     -0.8414000      -1.840500    
 H   -2.537300      -2.143600      -1.027100    
 H    2.022100      -3.042200      0.3077000    
 H   0.9288000      -2.662200       1.648000    
 H    1.604600     -0.4551000       1.629800    
 H   -4.302600      -1.690300      0.6209000    
 H   -2.230100       1.510100      -1.383900    
 H   -6.054700     -0.1001000       1.336800    
 H   -3.987300       3.092300     -0.6629000    
 H   -5.901200       2.292000      0.6976000    
 H    2.976500       1.076200       1.333800    
 H    5.453900       3.225100      0.3699000    
 H    4.130800       2.870900       1.428100    


%chk=000023222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023222

0 1
O 3.432526 -1.195158 -0.721096
O 4.036817 1.751121 -1.312526
N 1.987923 -0.966963 1.104329
N 3.644462 0.654546 0.753273
N 5.218611 2.383675 0.599739
C -0.980965 -1.213457 0.166883
C 0.187834 -2.138658 -0.234855
C -2.087467 -1.142576 -0.922838
C 1.296507 -2.243191 0.839374
C -3.232431 -0.221728 -0.526571
C -4.331777 -0.710836 0.226194
C -3.204980 1.157709 -0.859352
C -5.373023 0.151584 0.638008
C -4.243494 2.025013 -0.450428
C 3.032926 -0.551748 0.282535
C -5.331784 1.524859 0.301802
C 4.294906 1.597334 -0.093804
H -1.433613 -1.564488 1.117572
H -0.605851 -0.186585 0.351716
H 0.648258 -1.787170 -1.177677
H -0.199640 -3.159982 -0.428623
H -1.626317 -0.795623 -1.867905
H -2.467245 -2.166946 -1.107470
H 2.062875 -2.962828 0.502848
H 0.873886 -2.608310 1.795073
H 1.538770 -0.289361 1.722189
H -4.374273 -1.776901 0.484226
H -2.367272 1.551368 -1.448952
H -6.216779 -0.246043 1.213894
H -4.207485 3.086211 -0.722702
H -6.140020 2.194866 0.616129
H 3.607537 0.852111 1.755689
H 5.663996 3.132755 0.073583
H 5.636681 2.090499 1.481042


