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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 | -600.2107441 | -600.4350341 | 0.2242900 | 0.0000000 | 600.4350341 | ||||||
| cm-1 | 47.8 | 471.9 | -424.1 | ||||||||
| eV | -16332.565 | 0.006 | -16332.559 | -16338.668 | 0.059 | -16338.610 | 6.103 | -0.053 | 6.051 | 0.000 | 16338.668 |