Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
2a1g |
27.75 |
34.37 |
2 |
1 |
No |
none |
none |
2a2u |
22.99 |
33.60 |
2 |
1 |
No |
none |
none |
1eu |
16.31 |
24.42 |
4 |
1 |
No |
none |
none |
3a1g |
13.90 |
32.78 |
2 |
1 |
No |
none |
none |
1eg |
11.52 |
28.17 |
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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