Molecular Orbital Constants
Mol. Orbital |
B (eV) |
U (eV) |
N |
Q |
Double Ion. |
Special Calc. |
Remarks |
2σg |
41.72 |
71.13 |
2 |
1 |
No |
none |
none |
2σu |
21.00 |
63.18 |
2 |
1 |
No |
none |
none |
1πu |
17.07 |
44.30 |
4 |
1 |
No |
none |
none |
3σg |
15.58 |
54.91 |
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)
|
ASCII Table of Molecular Orbital Constants
Chemical Structure and Data from the NIST Chemistry WebBook
|