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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 | -629.3194921 | -629.6026125 | 0.2831204 | 0.0000000 | 629.6026125 | ||||||
| cm-1 | 227.8 | 207.4 | 20.4 | ||||||||
| eV | -17124.654 | 0.028 | -17124.626 | -17132.358 | 0.026 | -17132.333 | 7.704 | 0.003 | 7.707 | 0.000 | 17132.358 |