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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 | -326.8468984 | -327.1957084 | 0.3488100 | 0.0000000 | 327.1957084 | ||||||
| cm-1 | 381.0 | 473.2 | -92.2 | ||||||||
| eV | -8893.956 | 0.047 | -8893.909 | -8903.448 | 0.059 | -8903.389 | 9.492 | -0.011 | 9.480 | 0.000 | 8903.448 |