Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
1sσ |
322.169 |
437.171 |
2 |
1 |
No |
ion |
none |
2sσ |
34.131 |
40.531 |
2 |
1 |
No |
ion |
none |
2pσ |
24.07 |
38.199 |
2 |
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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