Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
1σg |
440.346 |
602.261 |
2 |
1 |
No |
ion |
none |
1σu |
440.272 |
603.049 |
2 |
1 |
No |
ion |
none |
2σg |
51.209 |
69.761 |
2 |
1 |
No |
ion |
none |
2σu |
31.475 |
68.262 |
2 |
1 |
No |
ion |
none |
1π |
27.180 |
48.672 |
4 |
1 |
No |
ion |
none |
3σg |
30.577 |
62.221 |
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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