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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 | -4776.7543666 | -4777.0715504 | 0.3171838 | 0.0000000 | 4777.0715504 | ||||||
| cm-1 | 159.0 | 152.9 | 6.2 | ||||||||
| eV | -129982.097 | 0.020 | -129982.077 | -129990.728 | 0.019 | -129990.709 | 8.631 | 0.001 | 8.632 | 0.000 | 129990.728 |