%chk=000168964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168964

0 1
 O    3.087900      -1.065400     -0.4495000    
 O   -3.086100      -1.067000      0.4482000    
 N    1.275200     -0.1270000      0.6602000    
 N   -1.282100     -0.1152000     -0.6607000    
 C   0.4282000      -1.297100      0.6310000    
 C  -0.4265000      -1.296400     -0.6329000    
 C    2.545400     -0.1177000      0.1096000    
 C   -2.544100     -0.1183000     -0.1098000    
 C    3.210700       1.202300      0.2740000    
 C   -3.209700       1.201600     -0.2722000    
 C    4.445300       1.400900     -0.1980000    
 C   -4.444300       1.399300      0.2001000    
 H    1.048800      -2.198600      0.6644000    
 H  -0.1958000      -1.270400       1.530400    
 H   0.1954000      -1.265300      -1.533500    
 H   -1.049300      -2.196200     -0.6683000    
 H   0.9036000      0.7112000       1.098000    
 H  -0.9109000      0.7236000      -1.097400    
 H    2.683400       2.003200      0.7804000    
 H   -2.683900       2.004600     -0.7773000    
 H    4.924000       2.366800     -7.4699998E-02
 H    5.006500      0.6274000     -0.7103000    
 H   -4.923300       2.365200      7.8199998E-02
 H   -5.005200      0.6249000      0.7112000    


%chk=000168964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168964

0 1
O 2.776802 -0.867137 -0.782317
O -2.772519 -0.865511 0.784617
N 1.251836 -0.197818 0.840868
N -1.253733 -0.194913 -0.843873
C 0.389685 -1.375303 0.666233
C -0.390765 -1.372614 -0.674222
C 2.411810 -0.023248 0.099908
C -2.411208 -0.021306 -0.098818
C 3.182968 1.220863 0.425546
C -3.184104 1.222611 -0.421223
C 4.338045 1.520150 -0.220504
C -4.337280 1.520817 0.228704
H 1.017181 -2.285674 0.683772
H -0.327463 -1.416422 1.501823
H 0.326828 -1.409001 -1.509697
H -1.016964 -2.283863 -0.696415
H 0.980668 0.512902 1.521365
H -0.987817 0.514431 -1.527874
H 2.788484 1.883537 1.209215
H -2.792435 1.886092 -1.205627
H 4.915158 2.421992 0.008621
H 4.715251 0.841682 -0.994974
H -4.915606 2.422504 0.002040
H -4.711623 0.841631 1.003932


