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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -597.6907318 | -597.9952329 | 0.3045011 | 0.0000000 | 597.9952329 | ||||||
| cm-1 | 4079.6 | 3719.6 | 360.0 | ||||||||
| eV | -16263.992 | 0.506 | -16263.486 | -16272.278 | 0.461 | -16271.817 | 8.286 | 0.045 | 8.331 | 0.000 | 16272.278 |