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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 | -2151.4212504 | -2151.8282897 | 0.4070394 | 0.0000000 | 2151.8282897 | ||||||
| cm-1 | 415.0 | 462.3 | -47.3 | ||||||||
| eV | -58543.149 | 0.051 | -58543.098 | -58554.226 | 0.057 | -58554.168 | 11.076 | -0.006 | 11.070 | 0.000 | 58554.226 |