%chk=000053967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053967

0 1
 O  -0.3087000     -0.8932000      0.4919000    
 O   0.4253000      0.9523000     -0.6626000    
 O    3.254200       1.046700     -0.7271000    
 N    1.908500     -0.5705000      0.2863000    
 N    4.203700     -0.7292000      0.3797000    
 C   -1.664600     -0.4987000      0.2477000    
 C   -1.871600     -0.4743000      -1.279400    
 C   -2.549400      -1.536500      0.9392000    
 C   -3.237500      1.2700000E-02  -1.746100    
 C   -1.882300      0.8335000      0.8435000    
 C   0.6517000     -7.0100002E-02 -2.3900000E-02
 C   -2.056200       1.917500       1.329600    
 C    3.126900      9.8000001E-03 -7.8800000E-02
 H   -1.719900      -1.493600      -1.661900    
 H   -1.148400      0.1233000      -1.835700    
 H   -2.300500      -1.614300       2.004800    
 H   -3.614100      -1.292300      0.8637000    
 H   -2.389200      -2.533000      0.5118000    
 H   -4.045600     -0.5951000      -1.329200    
 H   -3.409800       1.057600      -1.472000    
 H   -3.304900     -5.6800000E-02  -2.837100    
 H    1.942500      -1.431700      0.8243000    
 H   -2.210000       2.879200       1.760200    
 H    4.076700      -1.582500      0.9133000    
 H    5.157500     -0.4372000      0.1948000    


%chk=000053967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053967

0 1
O -0.230682 -0.847807 0.289260
O 0.655155 1.077243 -0.786403
O 3.571718 0.568637 -1.099091
N 1.997266 -0.586195 0.258855
N 4.291502 -0.775822 0.665211
C -1.683732 -0.417778 0.123192
C -2.017939 -0.360372 -1.395365
C -2.435974 -1.546576 0.859455
C -3.499958 -0.046870 -1.692237
C -1.899583 0.876709 0.803911
C 0.799136 0.012725 -0.163986
C -2.136497 1.925157 1.405631
C 3.311454 -0.189125 -0.135231
H -1.739719 -1.341318 -1.826629
H -1.376973 0.406292 -1.861164
H -2.082937 -1.621053 1.900907
H -3.518201 -1.339237 0.872263
H -2.257252 -2.508713 0.349494
H -4.177674 -0.840163 -1.329106
H -3.802504 0.908250 -1.226746
H -3.650401 0.047872 -2.782327
H 1.877938 -1.423363 0.833708
H -2.314437 2.860080 1.904719
H 4.095641 -1.228490 1.556076
H 5.258954 -0.586483 0.412604


