Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
3σ |
168.63 |
359.53 |
2 |
1 |
No |
none |
none |
4σ |
117.18 |
331.55 |
2 |
1 |
No |
none |
none |
1π |
117.15 |
332.44 |
4 |
1 |
No |
none |
none |
5σ |
42.84 |
104.41 |
2 |
1 |
No |
none |
none |
6σ |
19.99 |
74.82 |
2 |
1 |
No |
none |
none |
2π |
17.84 |
81.34 |
4 |
1 |
No |
none |
none |
7σ |
16.30 |
18.36 |
1 |
1 |
No |
none |
none |
3π |
7.28 |
11.46 |
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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