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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 | -25.9785940 | -26.4244349 | 0.4458408 | 0.0000000 | 26.4244349 | ||||||
| cm-1 | 4341.2 | 5530.9 | -1189.7 | ||||||||
| eV | -706.913 | 0.538 | -706.375 | -719.045 | 0.686 | -718.360 | 12.132 | -0.148 | 11.984 | 0.000 | 719.045 |