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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 | -132.2850624 | -132.6481662 | 0.3631038 | 0.0000000 | 132.6481662 | ||||||
| cm-1 | 9115.8 | 9541.7 | -426.0 | ||||||||
| eV | -3599.660 | 1.130 | -3598.529 | -3609.540 | 1.183 | -3608.357 | 9.881 | -0.053 | 9.828 | 0.000 | 3609.540 |