Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
2σg |
46.19 |
79.73 |
2 |
1 |
No |
none |
none |
2σu |
29.82 |
90.92 |
2 |
1 |
No |
none |
none |
1πu |
19.64 |
59.89 |
4 |
1 |
No |
none |
none |
3σg |
19.79 |
71.84 |
2 |
1 |
No |
none |
none |
1πg |
12.07 |
84.88 |
2 |
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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