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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 | -55.4911622 | -55.7914794 | 0.3003172 | 0.0000000 | 55.7914794 | ||||||
| cm-1 | 6441.0 | 7127.4 | -686.4 | ||||||||
| eV | -1509.991 | 0.799 | -1509.193 | -1518.163 | 0.884 | -1517.280 | 8.172 | -0.085 | 8.087 | 0.000 | 1518.163 |