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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 | -129.4630147 | -129.8121713 | 0.3491566 | 0.0000000 | 129.8121713 | ||||||
| cm-1 | 1165.2 | 931.0 | 234.2 | ||||||||
| eV | -3522.868 | 0.144 | -3522.723 | -3532.369 | 0.115 | -3532.253 | 9.501 | 0.029 | 9.530 | 0.000 | 3532.369 |