Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
1σ |
573.729 |
794.715 |
2 |
1 |
No |
ion |
none |
2σ |
321.916 |
436.120 |
2 |
1 |
No |
ion |
none |
3σ |
52.857 |
81.470 |
2 |
1 |
No |
ion |
none |
4σ |
32.263 |
73.082 |
2 |
1 |
No |
ion |
none |
1π |
28.311 |
56.083 |
4 |
1 |
No |
ion |
none |
5σ |
27.3 |
60.505 |
1 |
1 |
No |
ion |
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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