%chk=000024961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024961

0 1
 O    3.349500       1.925900     -0.3833000    
 N    4.631200     -0.5482000      7.8999996E-03
 N  -0.9218000     -0.2412000     -0.6486000    
 N   -1.478300     -0.1026000      0.4661000    
 C    3.231800     -0.4597000     -0.1582000    
 C    2.616500      0.7772000     -0.3511000    
 C   0.4720000     -0.3143000     -0.4842000    
 C    2.463800      -1.623800     -0.1288000    
 C    1.233300      0.8500000     -0.5146000    
 C    1.080500      -1.550900     -0.2921000    
 C    5.256000      -1.569700      0.7885000    
 C   -2.865000     -2.9500000E-02  0.3029000    
 C   -3.633100      -1.193400      0.3327000    
 C   -3.480400       1.207400      0.1103000    
 C    3.556100       2.597000      0.8577000    
 C   -5.016600      -1.120600      0.1698000    
 C   -4.863700       1.280300     -5.2299999E-02
 C   -5.631800      0.1163000     -2.2700001E-02
 H    2.912000      -2.603400      1.0200000E-02
 H   0.7547000       1.814500     -0.6665000    
 H   0.4894000      -2.462600     -0.2705000    
 H    5.152700      0.3081000     -0.1497000    
 H    4.811100      -1.642000       1.786500    
 H    6.317900      -1.336400      0.9173000    
 H    5.198200      -2.545100      0.2953000    
 H   -3.163000      -2.161800      0.4829000    
 H   -2.890600       2.120100      8.6300001E-02
 H    4.069600       1.945800       1.572000    
 H    2.600700       2.931100       1.274800    
 H    4.182200       3.474200      0.6725000    
 H   -5.614700      -2.026800      0.1931000    
 H   -5.343000       2.243400     -0.2020000    
 H   -6.709000      0.1731000     -0.1494000    


%chk=000024961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024961

0 1
O 3.882209 1.764216 0.356614
N 4.764509 -0.731880 0.433298
N -0.783007 0.283912 0.106513
N -1.629998 -0.722857 0.071126
C 3.394352 -0.566106 0.350867
C 2.874581 0.775556 0.308559
C 0.584664 -0.081155 0.186384
C 2.466564 -1.648799 0.305864
C 1.501302 1.014396 0.228427
C 1.085972 -1.412952 0.225527
C 5.427414 -2.030858 0.482546
C -3.005604 -0.330123 -0.008933
C -3.940715 -1.399263 -0.049884
C -3.473516 1.015822 -0.047267
C 3.450293 3.161208 0.313921
C -5.323939 -1.133030 -0.127482
C -4.855276 1.272719 -0.124575
C -5.787071 0.203521 -0.165062
H 2.842239 -2.676446 0.333501
H 1.082443 2.024366 0.196607
H 0.370046 -2.239303 0.191205
H 5.317356 0.125490 0.452456
H 5.096600 -2.628023 1.355867
H 6.515611 -1.879261 0.567497
H 5.234988 -2.628408 -0.431473
H -3.554725 -2.423793 -0.019386
H -2.738706 1.826049 -0.015030
H 2.806217 3.404088 1.180855
H 2.905029 3.379184 -0.624544
H 4.374314 3.756536 0.356209
H -6.038885 -1.962844 -0.158623
H -5.215939 2.307689 -0.153639
H -6.861123 0.412747 -0.225143


