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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 | -599.4889358 | -599.6805900 | 0.1916542 | 0.0000000 | 599.6805900 | ||||||
| cm-1 | 64.6 | 445.7 | -381.0 | ||||||||
| eV | -16312.924 | 0.008 | -16312.916 | -16318.139 | 0.055 | -16318.083 | 5.215 | -0.047 | 5.168 | 0.000 | 16318.139 |