Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
2σ |
288.57 |
593.27 |
2 |
1 |
No |
none |
none |
3σ |
219.65 |
561.36 |
2 |
1 |
No |
none |
none |
1π |
219.60 |
561.81 |
4 |
1 |
No |
none |
none |
4σ |
210.31 |
297.39 |
2 |
1 |
No |
none |
none |
5σ |
31.42 |
77.17 |
2 |
1 |
Yes |
3s |
none |
6σ |
17.09 |
56.49 |
2 |
1 |
No |
none |
none |
2π |
13.49 |
57.24 |
4 |
1 |
No |
3p |
none |
7σ |
10.2 |
31.95 |
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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