%chk=000126974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126974

0 1
 S    2.252100      0.4588000      0.9967000    
 F   -5.155400       1.029600     -0.9641000    
 F   -5.839500       1.427500       1.090000    
 F   -7.272100     -0.6463000      -1.356100    
 F   -7.832800       1.377900     -0.7838000    
 O   -5.219800     -0.6885000      0.5331000    
 O    2.296200       1.974100      0.9858000    
 O    7.686800      -1.233300      0.4127000    
 N  -0.5332000      0.5635000       1.199000    
 N   0.2481000      -1.117500     -2.7200000E-02
 N    4.849800       1.410400      -1.081000    
 C   -1.640600     -0.1200000      0.7670000    
 C   -1.126700      -1.164600      3.8000001E-03
 C   0.5700000     -7.0400000E-02  0.6988000    
 C   -3.006300      7.9700001E-02  0.9721000    
 C    3.045400     -0.1083000     -0.5356000    
 C   -3.874100     -0.8344000      0.3657000    
 C   -2.013100      -2.073600     -0.5980000    
 C   -3.388600      -1.892700     -0.4057000    
 C    4.510800      0.2167000     -0.5548000    
 C    5.408000     -0.7012000     -4.4500001E-02
 C   -5.839200      0.5169000      8.6400002E-02
 C    6.757600     -0.3682000     -7.6200001E-02
 C    7.154400      0.8530000     -0.6097000    
 C    6.170400       1.699200      -1.094800    
 C   -7.261100      0.2369000     -0.3271000    
 C    9.052700     -0.8253000      0.3475000    
 H  -0.5345000       1.389100       1.783300    
 H   -3.367900      0.9016000       1.579700    
 H    2.544900      0.3768000      -1.381200    
 H    2.893700      -1.188600     -0.6353000    
 H   -1.645700      -2.898900      -1.199300    
 H   -4.083300      -2.590400     -0.8675000    
 H    5.081900      -1.649400      0.3698000    
 H    8.180200       1.193500     -0.6746000    
 H    6.426600       2.663500      -1.521300    
 H   -7.867000     -0.1653000      0.4892000    
 H    9.652800      -1.632900      0.7793000    
 H    9.234400      6.8700001E-02  0.9536000    
 H    9.384900     -0.6975000     -0.6884000    


%chk=000126974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126974

0 1
S 2.210540 2.883731 1.409769
F -4.519384 -0.022989 -1.751557
F -5.357421 0.381939 0.328674
F -5.877673 -2.560837 -1.789304
F -7.221592 -0.743265 -1.398345
O -3.983547 -1.492929 -0.004963
O 1.132275 4.138116 1.078068
O 4.904181 -1.865968 -1.005397
N -0.245900 1.803830 0.764371
N 1.250923 0.138107 1.272831
N 5.496525 2.107860 0.336831
C -0.964181 0.611302 0.648076
C -0.013215 -0.428694 0.964359
C 1.044122 1.446831 1.129475
C -2.307293 0.345743 0.311747
C 3.237479 2.705526 -0.314964
C -2.653527 -1.016612 0.295089
C -0.416781 -1.782385 0.937927
C -1.749911 -2.069356 0.597243
C 4.310052 1.674678 -0.219650
C 4.105515 0.348687 -0.657961
C -4.953914 -0.687519 -0.563371
C 5.168825 -0.581547 -0.542196
C 6.396792 -0.152705 0.020458
C 6.496660 1.194590 0.443219
C -6.204069 -1.556522 -0.839935
C 5.971969 -2.869621 -0.892043
H -0.502394 2.795760 0.656452
H -3.021703 1.138297 0.082666
H 3.639011 3.726580 -0.395529
H 2.446387 2.508286 -1.051661
H 0.293876 -2.578842 1.173047
H -2.116655 -3.098245 0.553436
H 3.147598 0.022009 -1.069786
H 7.253333 -0.821281 0.137391
H 7.430893 1.557987 0.886731
H -6.583293 -2.034795 0.078644
H 5.540537 -3.790167 -1.309661
H 6.253485 -3.032683 0.165449
H 6.862275 -2.572796 -1.478328


