Molecular Orbital Constants
Mol.
Orbital |
B (eV) |
U (eV) |
N |
Q |
Double
Ion. |
Special
Calc. |
Remarks |
| 1f2 |
304.62 |
435.95 |
6 |
1 |
No |
none |
none |
| 2a1 |
304.62 |
435.96 |
2 |
1 |
No |
none |
none |
| 3a1 |
165.93 |
360.08 |
2 |
1 |
No |
none |
none |
| 2f2 |
114.41 |
331.91 |
6 |
1 |
No |
none |
none |
| 4a1 |
26.477 |
32.346 |
2 |
1 |
No |
none |
none |
| 3f2 |
25.070 |
33.786 |
6 |
1 |
No |
none |
none |
| 5a1 |
17.007 |
35.471 |
2 |
1 |
No |
none |
none |
| 4f2 |
15.407 |
24.504 |
6 |
1 |
No |
none |
none |
| 1e |
14.925 |
25.177 |
4 |
1 |
No |
none |
none |
| 1f1 |
14.376 |
26.810 |
6 |
1 |
No |
none |
none |
| 5f2 |
9.8 |
34.868 |
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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