%chk=000052236.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052236

0 1
 O   -3.871400       1.145900      1.6799999E-02
 O   -3.521300      -1.754200      2.0500001E-02
 O    1.502500      -2.154800     -3.3900000E-02
 O    5.345500      0.7151000       1.211900    
 O    5.435100      0.8389000      -1.056300    
 C  -8.6800002E-02 -0.4216000     -1.9500000E-02
 C   -1.630900       1.435200     -7.7000000E-03
 C   -2.667400      0.5074000      5.5999998E-03
 C  -0.3069000      0.9627000     -2.0600000E-02
 C    2.461300      5.5700000E-02 -4.7800001E-02
 C   -2.480200     -0.8737000      7.1999999E-03
 C    1.277400     -0.9275000     -3.2800000E-02
 C   -1.155800      -1.321300     -5.7999999E-03
 C    3.821000     -0.6331000     -2.7600000E-02
 C   -2.254600       2.710600     -4.1999999E-03
 C   -3.610600       2.479200      1.0700000E-02
 C    4.938100      0.3777000     -3.7099998E-02
 C   -3.194800      -3.142000      2.0600000E-02
 H   0.4981000       1.688400     -3.2600001E-02
 H    2.388800      0.6727000     -0.9513000    
 H    2.384300      0.7053000      0.8321000    
 H  -0.9189000      -2.380700     -5.7000001E-03
 H    3.927000      -1.277400      0.8533000    
 H    3.945600      -1.287500     -0.8984000    
 H   -1.774600       3.678900     -1.1700000E-02
 H   -4.477400       3.123700      1.8300001E-02
 H   -2.664500      -3.430000     -0.8933000    
 H   -4.138400      -3.697200      3.2099999E-02
 H   -2.645100      -3.425200      0.9246000    
 H    6.076000       1.369500       1.194400    


%chk=000052236-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052236

0 1
O -4.024265 1.053391 -0.099635
O -3.566897 -1.799658 -0.091196
O 1.572110 -2.067943 0.042422
O 6.208976 -0.072777 0.461756
O 4.926861 1.479353 -0.691204
C -0.080125 -0.314163 0.041876
C -1.740098 1.455786 -0.016373
C -2.754667 0.458682 -0.053866
C -0.379036 1.068653 0.034006
C 2.477905 0.189007 0.167387
C -2.480228 -0.931075 -0.048364
C 1.329887 -0.822932 0.086290
C -1.121430 -1.296984 -0.000693
C 3.842594 -0.491847 0.348648
C -2.438208 2.734055 -0.042036
C -3.785792 2.452564 -0.090917
C 4.989580 0.422091 -0.023062
C -3.267525 -3.238329 -0.090858
H 0.411970 1.822887 0.058086
H 2.490097 0.798107 -0.758819
H 2.287463 0.904020 0.989978
H -0.806919 -2.344807 0.003782
H 3.989549 -0.858229 1.379215
H 3.893661 -1.397642 -0.287092
H -1.990459 3.725586 -0.026702
H -4.681496 3.066694 -0.123608
H -2.664595 -3.518929 -0.975168
H -4.249001 -3.731344 -0.132541
H -2.734454 -3.533068 0.832887
H 6.945642 0.529550 0.167600


