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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 | -149.8670555 | -150.3223366 | 0.4552811 | 0.0000000 | 150.3223366 | ||||||
| cm-1 | 969.5 | 784.5 | 185.0 | ||||||||
| eV | -4078.090 | 0.120 | -4077.970 | -4090.479 | 0.097 | -4090.382 | 12.389 | 0.023 | 12.412 | 0.000 | 4090.479 |