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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 | -114.2630750 | -114.5909284 | 0.3278534 | 0.0000000 | 114.5909284 | ||||||
| cm-1 | 702.8 | 624.4 | 78.5 | ||||||||
| eV | -3109.256 | 0.087 | -3109.169 | -3118.178 | 0.077 | -3118.100 | 8.921 | 0.010 | 8.931 | 0.000 | 3118.178 |