Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
4σ |
193.34 |
195.98 |
2 |
1 |
No |
none |
none |
2π |
141.12 |
182.63 |
4 |
1 |
No |
none |
none |
5σ |
140.99 |
182.71 |
2 |
1 |
No |
none |
none |
1δ |
45.160 |
136.63 |
4 |
1 |
No |
none |
none |
3π |
44.975 |
136.56 |
4 |
1 |
No |
none |
none |
6σ |
44.975 |
136.25 |
2 |
1 |
No |
none |
none |
7σ |
17.434 |
44.324 |
2 |
1 |
No |
none |
none |
8σ |
10.388 |
35.737 |
2 |
1 |
No |
none |
none |
4π |
7.9063 |
26.370 |
1 |
1 |
No |
4p |
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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