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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 | -2234.4739193 | -2234.8244457 | 0.3505265 | 0.0000000 | 2234.8244457 | ||||||
| cm-1 | 1094.0 | 1066.9 | 27.1 | ||||||||
| eV | -60803.128 | 0.136 | -60802.992 | -60812.666 | 0.132 | -60812.534 | 9.538 | 0.003 | 9.542 | 0.000 | 60812.666 |