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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 | -114.2710156 | -114.6015643 | 0.3305487 | 0.0000000 | 114.6015643 | ||||||
| cm-1 | 690.7 | 606.3 | 84.4 | ||||||||
| eV | -3109.472 | 0.086 | -3109.387 | -3118.467 | 0.075 | -3118.392 | 8.995 | 0.010 | 9.005 | 0.000 | 3118.467 |