Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
1σ |
717.75 |
1013.54 |
2 |
1 |
No |
none |
none |
2σ |
209.76 |
297.18 |
2 |
1 |
No |
none |
none |
3σ |
46.25 |
104.01 |
2 |
1 |
Yes |
none |
none |
4σ |
22.34 |
84.64 |
2 |
1 |
No |
none |
none |
1π |
19.84 |
81.04 |
4 |
1 |
No |
none |
none |
5σ |
11.12 |
27.20 |
2 |
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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