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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 | -618.7336768 | -619.1208309 | 0.3871541 | 0.0000000 | 619.1208309 | ||||||
| cm-1 | 23374.4 | 2300.2 | 21074.2 | ||||||||
| eV | -16836.600 | 2.898 | -16833.702 | -16847.135 | 0.285 | -16846.849 | 10.535 | 2.613 | 13.148 | 0.000 | 16847.135 |