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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 | -398.9874665 | -399.3696067 | 0.3821402 | 0.0000000 | 399.3696067 | ||||||
| cm-1 | 3067.2 | 3185.9 | -118.6 | ||||||||
| eV | -10857.001 | 0.380 | -10856.621 | -10867.400 | 0.395 | -10867.005 | 10.399 | -0.015 | 10.384 | 0.000 | 10867.400 |