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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 | -5144.6110800 | -5144.9933550 | 0.3822750 | 0.0000000 | 5144.9933550 | ||||||
| cm-1 | 181.7 | 158.3 | 23.4 | ||||||||
| eV | -139991.987 | 0.023 | -139991.964 | -140002.389 | 0.020 | -140002.370 | 10.402 | 0.003 | 10.405 | 0.000 | 140002.389 |