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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 | -2862.8936566 | -2863.1586572 | 0.2650006 | 0.0000000 | 2863.1586572 | ||||||
| cm-1 | 252.0 | 197.5 | 54.5 | ||||||||
| eV | -77903.298 | 0.031 | -77903.267 | -77910.509 | 0.024 | -77910.485 | 7.211 | 0.007 | 7.218 | 0.000 | 77910.509 |