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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 | -153.3250598 | -153.6734331 | 0.3483733 | -153.3068797 | 0.3665534 | ||||||
| cm-1 | 808.8 | 604.9 | 203.8 | ||||||||
| eV | -4172.187 | 0.100 | -4172.087 | -4181.667 | 0.075 | -4181.592 | 9.480 | 0.025 | 9.505 | -4171.692 | 9.974 |