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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 | -131.2958534 | -131.6198824 | 0.3240290 | 0.0000000 | 131.6198824 | ||||||
| cm-1 | 9986.1 | 8619.9 | 1366.2 | ||||||||
| eV | -3572.742 | 1.238 | -3571.504 | -3581.559 | 1.069 | -3580.490 | 8.817 | 0.169 | 8.987 | 0.000 | 3581.559 |