%chk=000122626.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122626

0 1
 O   -2.507700      0.1387000       1.167700    
 O   -1.721500       2.020300      -1.781900    
 O   -4.055300       2.187400     -0.3806000    
 O   -3.938000      -2.273100       1.237400    
 O    4.233400     -0.8501000     -0.2695000    
 O   0.5766000      -3.608000     -0.4093000    
 O    2.805400      -3.105200     -0.5109000    
 N  -0.2945000      0.1845000      0.4163000    
 N  -0.1448000      -1.119300      9.9299997E-02
 N    1.359100       1.966300      0.4953000    
 N    3.643200       1.342700      0.1296000    
 N    3.095400       3.554100      0.5337000    
 C   -1.562400      0.8543000      0.3558000    
 C   -2.136000      0.8850000      -1.050400    
 C   -3.626100      0.8866000     -0.7820000    
 C   -3.733900     -3.5900000E-02  0.4245000    
 C   -3.855400      -1.506700      4.8700001E-02
 C   0.9709000      0.7440000      0.3477000    
 C    1.964700     -0.3241000      3.9600000E-02
 C    1.189900      -1.414700     -8.2900003E-02
 C    3.382700      2.4999999E-03 -4.9899999E-02
 C    1.638300      -2.770600     -0.3545000    
 C    2.715900       2.241300      0.3762000    
 H   -1.471700       1.864700      0.7724000    
 H   -1.869100     -9.8000001E-03  -1.624900    
 H   -4.225300      0.5850000      -1.645800    
 H   -4.551800      0.2456000       1.097200    
 H   -2.994800      -1.867100     -0.5220000    
 H   -4.761400      -1.685800     -0.5377000    
 H  -0.8260000      -1.831600      0.3244000    
 H  -0.7506000       1.996100      -1.832000    
 H   -5.005800       2.131600     -0.1827000    
 H   -3.129000      -2.105800       1.750600    
 H    4.067900       3.832400      0.4621000    
 H    2.412700       4.278900      0.7262000    
 H   0.8472000      -4.533100     -0.5917000    


%chk=000122626-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122626

0 1
O -2.508374 -0.821581 0.520648
O -1.526916 2.645349 -0.227172
O -3.915957 2.069059 0.870895
O -4.460707 -2.480225 -0.765266
O 4.461674 -0.575539 -0.162946
O 1.061573 -3.926185 1.010062
O 3.314949 -3.333783 0.776025
N -0.218836 -0.238087 0.356742
N 0.156228 -1.534184 0.685215
N 0.967968 1.796613 -0.226947
N 3.416335 1.510112 -0.457203
N 2.393130 3.576868 -0.768741
C -1.566404 0.286599 0.617337
C -2.008694 1.313480 -0.465102
C -3.545872 1.251524 -0.279393
C -3.835922 -0.228231 0.048417
C -4.304838 -1.075439 -1.138019
C 0.932142 0.481946 0.065683
C 2.055789 -0.421775 0.151313
C 1.523868 -1.671343 0.531185
C 3.413049 0.130207 -0.160692
C 2.119630 -3.008597 0.768483
C 2.287555 2.239586 -0.475251
H -1.602558 0.750820 1.624564
H -1.721862 0.919386 -1.463271
H -4.076751 1.589859 -1.191242
H -4.535644 -0.306832 0.897048
H -3.603145 -0.960660 -1.992672
H -5.309223 -0.746103 -1.453755
H -0.546268 -2.257076 0.851733
H -0.482853 2.557552 -0.236164
H -3.318900 2.869076 0.841925
H -3.602048 -2.793083 -0.381135
H 3.321706 3.946912 -0.957715
H 1.571231 4.174272 -0.801986
H 1.437147 -4.829396 1.183399


