%chk=000046500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046500

0 1
 O    1.175300      -1.934200       1.494400    
 O   9.2500001E-02  0.5156000      -2.362600    
 O    3.192100       2.095700      0.6296000    
 N    2.109000      0.1256000       1.110000    
 N    1.567700       1.349700     -0.8163000    
 C   0.1200000     -0.5232000     -0.1716000    
 C   -1.044200      0.1461000      0.5806000    
 C  -0.3834000      -1.807600     -0.8461000    
 C   -2.188800      0.5456000     -0.3669000    
 C    1.179700     -0.8750000      0.8677000    
 C   0.5885000      0.4624000      -1.237400    
 C   -1.566400     -0.7996000       1.662400    
 C   0.7539000      -2.552900      -1.507500    
 C   -3.334100       1.213100      0.3386000    
 C    2.337100       1.257900      0.3373000    
 C   -4.599000      0.7809000      0.2878000    
 H  -0.6834000       1.054900       1.083800    
 H   -1.126400      -1.606300      -1.624500    
 H  -0.8407000      -2.508700     -0.1423000    
 H   -2.575200     -0.3178000     -0.9173000    
 H   -1.841700       1.270900      -1.109400    
 H   -2.070700      -1.685200       1.266700    
 H   -2.317700     -0.2835000       2.273400    
 H  -0.8117000      -1.109000       2.387200    
 H    1.274900      -1.943100      -2.251800    
 H    1.494800      -2.925400     -0.7949000    
 H   0.3591000      -3.429300      -2.034200    
 H    2.743000     -2.2900000E-02   1.890200    
 H    1.802800       2.103500      -1.456000    
 H   -3.113600       2.112000      0.9086000    
 H   -5.382700       1.314700      0.8143000    
 H   -4.874800     -0.1054000     -0.2726000    


%chk=000046500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046500

0 1
O 1.243191 -2.037349 1.460965
O 0.165933 0.606516 -2.369727
O 3.090401 2.180247 0.876224
N 2.038288 0.118436 1.222540
N 1.536676 1.403139 -0.691179
C 0.123093 -0.612167 -0.218968
C -1.131800 0.048666 0.563051
C -0.279700 -1.901134 -0.985692
C -2.346251 0.280525 -0.392552
C 1.172696 -0.937437 0.857815
C 0.608776 0.468976 -1.199998
C -1.568618 -0.769357 1.799897
C 0.889310 -2.584762 -1.727627
C -3.315631 1.301082 0.168444
C 2.270148 1.304898 0.505360
C -4.629604 1.078454 0.421912
H -0.785951 1.043984 0.916360
H -1.061457 -1.631402 -1.715485
H -0.715646 -2.608866 -0.259221
H -2.874149 -0.676991 -0.558756
H -1.987729 0.631275 -1.380344
H -1.810360 -1.813117 1.532935
H -2.478211 -0.308516 2.224340
H -0.798292 -0.795225 2.588409
H 1.331092 -1.914242 -2.486511
H 1.679424 -2.907977 -1.027583
H 0.525631 -3.484751 -2.254686
H 2.648782 -0.038115 2.031389
H 1.766938 2.203364 -1.289485
H -2.897371 2.302803 0.360114
H -5.283188 1.869811 0.805563
H -5.090520 0.098730 0.243696


