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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 | -392.9172800 | -393.2124354 | 0.2951553 | 0.0000000 | 393.2124354 | ||||||
| cm-1 | 1203.3 | 1309.8 | -106.5 | ||||||||
| eV | -10691.823 | 0.149 | -10691.674 | -10699.855 | 0.162 | -10699.692 | 8.032 | -0.013 | 8.018 | 0.000 | 10699.855 |