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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 | -237.7679870 | -238.0710070 | 0.3030201 | 0.0000000 | 238.0710070 | ||||||
| cm-1 | 4439.0 | 4023.5 | 415.5 | ||||||||
| eV | -6469.996 | 0.550 | -6469.446 | -6478.242 | 0.499 | -6477.743 | 8.246 | 0.052 | 8.297 | 0.000 | 6478.242 |