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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 | -252.7517475 | -253.1830913 | 0.4313438 | 0.0000000 | 253.1830913 | ||||||
| cm-1 | 1603.7 | 1313.4 | 290.3 | ||||||||
| eV | -6877.725 | 0.199 | -6877.526 | -6889.462 | 0.163 | -6889.299 | 11.737 | 0.036 | 11.773 | 0.000 | 6889.462 |