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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 | -114.0837170 | -114.3498279 | 0.2661109 | 0.0000000 | 114.3498279 | ||||||
| cm-1 | 8377.4 | 7722.1 | 655.3 | ||||||||
| eV | -3104.376 | 1.039 | -3103.337 | -3111.617 | 0.957 | -3110.660 | 7.241 | 0.081 | 7.322 | 0.000 | 3111.617 |