%chk=000023006.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023006

0 1
 O   -3.757700       4.202400     -0.4123000    
 O   -4.801400      -3.235900       1.403900    
 O   -3.733200      0.2226000      -1.168600    
 N   -2.137600       1.948500      0.1705000    
 N  -0.6225000      -1.226300     -0.7704000    
 N   0.1378000       1.265900      0.1611000    
 N   -3.256100      -1.981400     -0.6285000    
 N    2.357500      0.6072000      0.1553000    
 N    2.987200      -1.599500     -0.5407000    
 N    1.321300      -3.126100      -1.230700    
 C   -1.154300      0.9639000     -7.0500001E-02
 C   -1.530700     -0.2678000     -0.5310000    
 C   0.6688000     -0.9226000     -0.5381000    
 C    1.067100      0.3304000     -6.8099998E-02
 C   -1.822600       3.257000      0.6513000    
 C   -2.912900     -0.6343000     -0.7939000    
 C    1.680600      -1.839100     -0.7527000    
 C   -3.097000       4.062400      0.8392000    
 C    3.252500     -0.3680000     -9.0899996E-02
 C   -4.581000      -2.504500     -0.8733000    
 C    4.634800     -5.1600002E-02  0.1552000    
 C   -5.409900      -2.435900      0.3980000    
 C    5.522700      -1.056300      0.5401000    
 C    5.086600       1.260100      9.3000000E-03
 C    6.862200     -0.7492000      0.7789000    
 C    6.426200       1.567000      0.2479000    
 C    7.313900      0.5625000      0.6329000    
 C   -4.955500       4.956400     -0.2875000    
 C   -5.546800      -3.208000       2.613400    
 H   -1.289700       3.198100       1.607000    
 H   -1.177200       3.767100     -7.3600002E-02
 H   -3.085200       1.612300      0.3077000    
 H   -2.846100       5.054400       1.232400    
 H   -3.763600       3.560800       1.551300    
 H   -4.454700      -3.542700      -1.196300    
 H   -5.058400      -1.934300      -1.676100    
 H   -2.540400      -2.632600     -0.3184000    
 H   -6.418800      -2.812100      0.1938000    
 H   -5.484800      -1.400000      0.7504000    
 H    5.199900      -2.086200      0.6720000    
 H    4.422200       2.063800     -0.2988000    
 H   0.4001000      -3.480800      -1.004900    
 H    2.072300      -3.789700      -1.374000    
 H    7.553400      -1.530800       1.080700    
 H    6.778900       2.587700      0.1322000    
 H    8.356900      0.8014000      0.8188000    
 H   -5.418500       5.032700      -1.275000    
 H   -4.738000       5.965700      7.4900001E-02
 H   -5.655600       4.455400      0.3882000    
 H   -5.601200      -2.188400       3.007000    
 H   -6.553900      -3.605000       2.453100    
 H   -5.036300      -3.838000       3.346800    


%chk=000023006-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023006

0 1
O -3.860763 4.692085 -0.469969
O -4.370669 -4.121118 0.588231
O -4.165416 0.645299 -0.770016
N -2.127785 2.422930 -0.764598
N -1.013144 -1.036548 -0.184374
N 0.045577 1.610345 -0.376338
N -3.638744 -1.607903 -0.453684
N 2.223020 0.772167 0.016072
N 2.585990 -1.635260 0.347137
N 0.799725 -3.159349 0.295191
C -1.294802 1.371949 -0.519541
C -1.835471 0.005873 -0.415616
C 0.327005 -0.794109 -0.044752
C 0.871431 0.544525 -0.136167
C -1.664767 3.809817 -0.895649
C -3.302124 -0.284122 -0.561885
C 1.259273 -1.874439 0.203167
C -2.472524 4.747909 0.002966
C 3.007795 -0.316463 0.248208
C -5.012009 -2.102862 -0.549811
C 4.466491 -0.078284 0.412492
C -5.342068 -3.017702 0.632234
C 5.354392 -1.160982 0.654328
C 4.984168 1.242848 0.327263
C 6.736267 -0.925082 0.807979
C 6.365744 1.474528 0.481697
C 7.247165 0.392370 0.722567
C -4.776850 5.453484 0.374513
C -4.548378 -5.067022 1.688556
H -0.594035 3.839057 -0.635436
H -1.779895 4.143579 -1.945663
H -3.136453 2.199387 -0.852634
H -2.077219 5.784779 -0.079051
H -2.411758 4.423527 1.064914
H -5.148377 -2.670643 -1.491048
H -5.686820 -1.229586 -0.572065
H -2.883240 -2.275344 -0.269809
H -6.377735 -3.410755 0.535694
H -5.251621 -2.467352 1.593697
H 4.937458 -2.170156 0.716268
H 4.280278 2.059087 0.139363
H -0.196086 -3.341075 0.184562
H 1.463236 -3.911768 0.465238
H 7.415963 -1.764421 0.993734
H 6.758310 2.495361 0.414375
H 8.321535 0.574245 0.841994
H -5.778018 5.330704 -0.067248
H -4.512065 6.532552 0.393665
H -4.784414 5.068834 1.416771
H -4.409891 -4.574896 2.674520
H -5.554900 -5.535031 1.660293
H -3.781481 -5.846363 1.556667


