%chk=000004850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004850

0 1
 O   -4.252200       1.674700       1.348400    
 O   -5.731300       1.266700     -0.5099000    
 N  -7.2499998E-02  -1.269900      0.4051000    
 N    2.587100     -0.3062000      8.5000005E-03
 N    4.018800       1.505400     -0.4853000    
 N    4.915000     -0.5980000      0.2759000    
 C   0.2239000     -0.3339000     -0.6862000    
 C    1.078500      -2.152700      0.6323000    
 C    1.440500      0.5331000     -0.3524000    
 C    2.322700      -1.346000       1.011000    
 C   -1.267700      -2.054500      9.7800002E-02
 C   -2.478000      -1.180200     -9.6299998E-02
 C    3.882500      0.2174000     -6.9799997E-02
 C   -2.722900     -0.1483000      0.8027000    
 C   -3.330400      -1.426000      -1.178800    
 C   -3.844000      0.6257000      0.5834000    
 C   -4.688700      0.3927000     -0.4777000    
 C   -4.458900     -0.6272000      -1.378000    
 C   -5.448200       2.076300      0.6494000    
 C    5.280900       1.978100     -0.5485000    
 C    6.149500     -6.0899999E-02  0.1893000    
 C    6.395500       1.233600     -0.2206000    
 H  -0.6021000      0.3566000     -0.8850000    
 H   0.4148000     -0.8814000      -1.619800    
 H    1.289700      -2.754200     -0.2623000    
 H   0.8604000      -2.849900       1.450400    
 H    1.662400       1.143200      -1.236500    
 H    1.208200       1.214800      0.4755000    
 H    2.187900     -0.8770000       1.994000    
 H    3.156100      -2.053300       1.095600    
 H   -1.490700      -2.738700      0.9270000    
 H   -1.099900      -2.676300     -0.7920000    
 H   -2.080000      4.7499999E-02   1.653700    
 H   -3.128100      -2.236700      -1.873700    
 H   -5.127000     -0.8077000      -2.212300    
 H   -5.334800       3.118700      0.3304000    
 H   -6.297000       2.009800       1.339600    
 H    5.374600       3.006200     -0.8814000    
 H    6.963100     -0.7220000      0.4679000    
 H    7.396800       1.638400     -0.2807000    


%chk=000004850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004850

0 1
O -4.574467 1.414619 1.489998
O -6.049535 1.035744 -0.371063
N -0.002099 -1.081439 0.299598
N 2.620776 0.056678 0.473653
N 4.191646 1.294147 -0.784533
N 4.893661 -0.558068 0.669664
C 0.439479 -0.057828 -0.681832
C 1.143860 -1.902795 0.762389
C 1.505462 0.862797 -0.058177
C 2.218007 -1.007382 1.411705
C -1.133443 -1.901396 -0.194726
C -2.434133 -1.111834 -0.310853
C 3.932884 0.268983 0.110589
C -2.789543 -0.193648 0.722138
C -3.305903 -1.323499 -1.406004
C -4.012890 0.462565 0.599274
C -4.880872 0.240623 -0.492129
C -4.555411 -0.649528 -1.516360
C -5.881690 1.799296 0.894951
C 5.493574 1.489264 -1.116822
C 6.179530 -0.320471 0.304389
C 6.551232 0.705856 -0.596465
H -0.435220 0.546761 -0.980562
H 0.859763 -0.535476 -1.603381
H 1.611160 -2.475520 -0.078897
H 0.779653 -2.631936 1.510414
H 1.910987 1.566181 -0.800589
H 1.045070 1.435753 0.772124
H 1.793691 -0.542262 2.324674
H 3.113325 -1.586897 1.682036
H -1.270669 -2.728300 0.531618
H -0.908450 -2.380136 -1.181621
H -2.106029 -0.015712 1.556239
H -3.012927 -2.025243 -2.195349
H -5.225653 -0.813770 -2.363727
H -5.868343 2.878695 0.663817
H -6.690266 1.519969 1.592651
H 5.685490 2.303225 -1.826157
H 6.930524 -0.981589 0.753273
H 7.592267 0.881471 -0.875248


