Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
3a1 |
192.92 |
191.75 |
2 |
1 |
No |
none |
none |
2f2 |
140.34 |
183.95 |
6 |
1 |
No |
none |
none |
3f2 |
44.346 |
135.80 |
6 |
1 |
No |
none |
none |
1e |
44.238 |
136.41 |
4 |
1 |
No |
none |
none |
4a1 |
20.071 |
39.214 |
2 |
1 |
No |
none |
none |
4f2 |
11.33 |
29.609 |
6 |
1 |
No |
none |
none |
B: Binding Energy
U: Average Kinetic Energy
N: Electron Occupation Number
Q: Dipole Constant
Double Ion.: Double Ionization Included
Special Calc.: Modified BEB theory (if appropriate)
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ASCII Table of Molecular Orbital Constants
Chemical Structure and Data from the NIST Chemistry WebBook
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