Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
1σg |
305.62 |
435.15 |
2 |
1 |
No |
none |
none |
1σu |
305.50 |
436.31 |
2 |
1 |
No |
none |
none |
2σg |
28.18 |
49.60 |
2 |
1 |
No |
none |
none |
2σu |
20.80 |
32.79 |
2 |
1 |
No |
none |
none |
3σg |
18.55 |
33.64 |
2 |
1 |
No |
none |
none |
1πu |
11.4 |
28.99 |
4 |
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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