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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 | -256.5458630 | -257.2856827 | 0.7398197 | 0.0000000 | 257.2856827 | ||||||
| cm-1 | 275.5 | 16.9 | 258.7 | ||||||||
| eV | -6980.968 | 0.034 | -6980.934 | -7001.099 | 0.002 | -7001.097 | 20.132 | 0.032 | 20.164 | 0.000 | 7001.099 |