HyperChem log start -- Mon Nov 22 02:23:23 2010.
Single Point, SemiEmpirical, molecule = H2O.hin.
ExtendedHuckel
Extended-Huckel Calculation:
Singlet State Calculation
Number of Electrons = 8
Starting Extended-Huckel calculation with 6 orbitals
Charge on the System = 0
Total Orbitals = 6
Number of Double Occupied Levels = 4
Unweighted Huckel Constant = 1.7500000
d Orbitals on Si...Cl If Any Not Included

                       Eigenvalues (eV)  and Eigenvectors

Mol. Orbital       1          2          3          4          5          6
Symmetry:        1 A1       1 B2       2 A1       1 B1       2 B2       3 A1  
Eigenvalue    -33.24707  -17.11454  -15.45753  -14.80000   -0.31456    9.38687

  S  O   1      0.86885   -0.00000   -0.18204    0.00000   -0.00000    0.90918
 Px  O   1      0.00000    0.71471   -0.00000   -0.00000   -0.90616   -0.00000
 Py  O   1      0.00000   -0.00000   -0.00000   -1.00000    0.00000   -0.00000
 Pz  O   1     -0.02815    0.00000    0.92120   -0.00000   -0.00000    0.56265
  S  H   2      0.12949    0.34365    0.13506   -0.00000    0.85970   -0.83243
  S  H   3      0.12949   -0.34365    0.13506    0.00000   -0.85970   -0.83243

Energy=-3718.315919 Symmetry=C2V

 ********************************* RESULTS *********************************

      Sum of One-Electron Energies =   -3718.3159191 (kcal/mol)
      Sum of One-Electron Energies =    -5.925395286 (a.u.)

                   -----   Molecular Point Group:  C2V  -----

                   ----- EIGENVALUES(eV) AND SYMMETRIES -----

Symmetry:      1 A1         1 B2         2 A1         1 B1         2 B2  
Eigenvalue:  -33.247072   -17.114538   -15.457529   -14.800000    -0.314562

Symmetry:      3 A1  
Eigenvalue:    9.386867

                ----- ATOMIC ORBITAL ELECTRON POPULATIONS -----

AO:            1   S  O     1  Px  O     1  Py  O     1  Pz  O     2   S  H
               1.737666     1.327313     2.000000     1.814144     0.560439

AO:            3   S  H
               0.560439

                    ----- NET CHARGES AND COORDINATES -----
Atom  Z     Charge             Coordinates(Angstrom)
                            x           y           z
  1   8    -0.879122       0.00000     0.00000     0.00000
  2   1     0.439561       0.76162    -0.00000     0.58441
  3   1     0.439561      -0.76162    -0.00000     0.58441
HyperChem log stop -- Mon Nov 22 02:23:31 2010.