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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 | -630.1771771 | -630.5012489 | 0.3240717 | 0.0000000 | 630.5012489 | ||||||
| cm-1 | 238.0 | 297.5 | -59.5 | ||||||||
| eV | -17147.993 | 0.030 | -17147.964 | -17156.812 | 0.037 | -17156.775 | 8.818 | -0.007 | 8.811 | 0.000 | 17156.812 |