%chk=000004421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004421

0 1
 O    1.494600      -2.310000     -0.2952000    
 O    3.788600      -1.252600      0.4700000    
 O    4.061300      0.8674000     -0.3778000    
 N  -4.7300000E-02   1.406700      0.2899000    
 N   -2.299400      0.5282000      0.1939000    
 C  -0.9554000      0.3262000      0.1414000    
 C  -0.4389000     -0.9651000     -6.1999999E-02
 C  -0.6368000       2.723100      0.4990000    
 C    1.313100       1.183200      0.2345000    
 C    1.902300     -3.1999999E-03  4.5800000E-02
 C    1.028000      -1.191400     -0.1200000    
 C   -1.310100      -2.046600     -0.2110000    
 C   -3.118500     -0.5384000      4.6300001E-02
 C  -0.8821000       3.431000     -0.8228000    
 C   -2.678800      -1.832000     -0.1561000    
 C    3.363700     -6.0600001E-02  1.2700000E-02
 C   -4.584200     -0.2658000      0.1114000    
 H   -1.561900       2.679000       1.086700    
 H   4.7300000E-02   3.339000       1.097600    
 H    1.890700       2.093100      0.3644000    
 H  -0.9393000      -3.055300     -0.3693000    
 H   4.8099998E-02   3.543400      -1.389600    
 H   -1.588800       2.875100      -1.447500    
 H   -1.296000       4.429000     -0.6479000    
 H   -3.370800      -2.659400     -0.2697000    
 H   -5.067800     -0.5571000     -0.8265000    
 H   -5.039000     -0.8225000      0.9369000    
 H   -4.779300      0.7993000      0.2749000    
 H    4.767000      -1.324200      0.4632000    


%chk=000004421-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004421

0 1
O 1.504667 -2.486854 -0.224101
O 4.002220 -1.259745 -0.005114
O 4.043560 1.033228 0.295779
N -0.080488 1.364407 0.329102
N -2.293755 0.534986 0.189994
C -0.955555 0.265629 0.161250
C -0.402847 -1.034264 -0.019964
C -0.628656 2.744450 0.479548
C 1.272774 1.154909 0.300806
C 1.890213 -0.085968 0.127600
C 1.071654 -1.302943 -0.052737
C -1.327521 -2.098649 -0.173878
C -3.164616 -0.501616 0.041291
C -0.908619 3.411830 -0.879847
C -2.705798 -1.840579 -0.144327
C 3.373505 -0.029498 0.149144
C -4.641206 -0.174523 0.079850
H -1.561611 2.663858 1.058672
H 0.106535 3.325735 1.063133
H 1.908316 2.037125 0.429767
H -0.919405 -3.105168 -0.313354
H 0.007654 3.481880 -1.492594
H -1.668825 2.842320 -1.440079
H -1.293918 4.434860 -0.719442
H -3.434280 -2.648651 -0.261500
H -5.141013 -0.482745 -0.857231
H -5.144758 -0.708835 0.906926
H -4.784613 0.907743 0.219010
H 4.986688 -1.103421 0.025498


