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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 | -38.6391862 | -39.0074352 | 0.3682491 | 0.0000000 | 39.0074352 | ||||||
| cm-1 | 3558.0 | 3728.3 | -170.3 | ||||||||
| eV | -1051.426 | 0.441 | -1050.985 | -1061.446 | 0.462 | -1060.984 | 10.021 | -0.021 | 9.999 | 0.000 | 1061.446 |