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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 | -615.3155151 | -615.5544976 | 0.2389825 | 0.0000000 | 615.5544976 | ||||||
| cm-1 | 118.4 | 231.1 | -112.7 | ||||||||
| eV | -16743.587 | 0.015 | -16743.572 | -16750.090 | 0.029 | -16750.061 | 6.503 | -0.014 | 6.489 | 0.000 | 16750.090 |