Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
1σg |
316.56 |
435.87 |
2 |
1 |
No |
ion |
none |
1σu |
316.48 |
436.63 |
2 |
1 |
No |
ion |
none |
2σg |
34.59 |
49.00 |
2 |
1 |
No |
ion |
none |
2σu |
27.96 |
35.66 |
2 |
1 |
No |
ion |
none |
3σg |
26.06 |
34.23 |
2 |
1 |
No |
ion |
none |
1πu |
21.00 |
31.42 |
3 |
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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