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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 | -735.5021552 | -735.8144381 | 0.3122829 | 0.0000000 | 735.8144381 | ||||||
| cm-1 | 330.0 | 282.4 | 47.7 | ||||||||
| eV | -20014.031 | 0.041 | -20013.991 | -20022.529 | 0.035 | -20022.494 | 8.498 | 0.006 | 8.504 | 0.000 | 20022.529 |