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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 | -474.4969619 | -474.8187473 | 0.3217854 | 0.0000000 | 474.8187473 | ||||||
| cm-1 | 489.5 | 403.9 | 85.6 | ||||||||
| eV | -12911.719 | 0.061 | -12911.658 | -12920.475 | 0.050 | -12920.425 | 8.756 | 0.011 | 8.767 | 0.000 | 12920.475 |