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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 | -132.2876297 | -132.6560403 | 0.3684106 | 0.0000000 | 132.6560403 | ||||||
| cm-1 | 9526.2 | 10004.0 | -477.8 | ||||||||
| eV | -3599.729 | 1.181 | -3598.548 | -3609.754 | 1.240 | -3608.514 | 10.025 | -0.059 | 9.966 | 0.000 | 3609.754 |