Molecular Orbital Constants
Mol.
Orbital |
B (eV) |
U (eV) |
N |
Q |
Double
Ion. |
Special
Calc. |
Remarks |
| 4a1g |
192.94 |
191.75 |
2 |
1 |
No |
none |
none |
| 4a2u |
192.93 |
191.78 |
2 |
1 |
No |
none |
none |
| 2eu |
140.35 |
183.98 |
4 |
1 |
No |
none |
none |
| 2eg |
140.35 |
183.95 |
4 |
1 |
No |
none |
none |
| 5a1g |
140.35 |
183.94 |
2 |
1 |
No |
none |
none |
| 5a2u |
140.34 |
183.88 |
2 |
1 |
No |
none |
none |
| 6a1g |
44.433 |
135.27 |
2 |
1 |
No |
none |
none |
| 3eu |
44.379 |
135.64 |
4 |
1 |
No |
none |
none |
| 3eg |
44.352 |
135.85 |
4 |
1 |
No |
none |
none |
| 4eu |
44.276 |
136.26 |
4 |
1 |
No |
none |
none |
| 4eg |
44.224 |
136.68 |
4 |
1 |
No |
none |
none |
| 6a2u |
44.202 |
137.01 |
2 |
1 |
No |
none |
none |
| 7a1g |
20.773 |
40.906 |
2 |
1 |
No |
none |
none |
| 7a2u |
18.645 |
39.843 |
2 |
1 |
No |
none |
none |
| 5eu |
13.334 |
28.632 |
4 |
1 |
No |
none |
none |
| 5eg |
12.553 |
30.408 |
4 |
1 |
No |
none |
none |
| 8a1g |
12.5 |
39.824 |
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
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