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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 | -915.2053997 | -915.6515729 | 0.4461732 | 0.0000000 | 915.6515729 | ||||||
| cm-1 | 241.9 | 232.7 | 9.2 | ||||||||
| eV | -24904.005 | 0.030 | -24903.975 | -24916.146 | 0.029 | -24916.118 | 12.141 | 0.001 | 12.142 | 0.000 | 24916.146 |