%chk=000029877.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029877

0 1
 O   0.8392000      0.1872000     -0.7602000    
 O    1.297500     -0.1394000       1.485400    
 N    3.032200     -0.1468000     -6.4000003E-02
 N   -3.448800      -1.878500     -2.1800000E-02
 C  -0.5113000      0.2981000     -0.4134000    
 C   -1.283900     -0.8410000     -0.3955000    
 C   -2.630700     -0.7300000     -4.9500000E-02
 C   -1.012900       1.542000     -0.1041000    
 C    1.691800     -4.2100001E-02  0.3238000    
 C   -3.168400      0.5171000      0.2693000    
 C   -2.359500       1.652900      0.2421000    
 C    4.065800     -0.3860000      0.9331000    
 C    3.489000     -3.3399999E-02  -1.445300    
 H  -0.8532000      -1.806200     -0.6465000    
 H  -0.3831000       2.425700     -0.1261000    
 H   -4.216300      0.6167000      0.5406000    
 H   -2.778000       2.624000      0.4903000    
 H    4.576800      -1.322800      0.6928000    
 H    3.647300     -0.4575000       1.940100    
 H    4.781800      0.4404000      0.9033000    
 H    3.992500     -0.9639000      -1.723400    
 H    4.197500      0.7975000      -1.511100    
 H    2.670500      0.1461000      -2.144800    
 H   -4.425200      -1.798600      0.2292000    
 H   -3.059600      -2.782900     -0.2525000    


%chk=000029877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029877

0 1
O 0.913778 0.384793 -0.343867
O 1.424205 -1.635724 0.801073
N 3.097587 -0.245228 -0.069537
N -3.423687 -1.655770 0.896172
C -0.511603 0.336524 -0.262230
C -1.251862 -0.710886 0.319182
C -2.675305 -0.625712 0.322640
C -1.133776 1.467225 -0.842152
C 1.785269 -0.596040 0.186416
C -3.318830 0.505265 -0.256826
C -2.542578 1.533191 -0.829515
C 4.165891 -1.137016 0.406539
C 3.519541 0.968268 -0.784913
H -0.737342 -1.566502 0.759834
H -0.520289 2.257186 -1.282598
H -4.413164 0.573185 -0.255505
H -3.042657 2.401192 -1.273755
H 4.778173 -1.494660 -0.443706
H 3.711056 -2.000255 0.913953
H 4.827079 -0.604334 1.117162
H 4.111887 0.697269 -1.680759
H 4.150492 1.600332 -0.129568
H 2.639761 1.543201 -1.098128
H -4.438014 -1.616016 0.910617
H -2.964611 -2.460888 1.311272


