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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 | -130.7823123 | -131.1918020 | 0.4094896 | -130.7725163 | 0.4192857 | ||||||
| cm-1 | 8742.1 | 9816.4 | -1074.4 | ||||||||
| eV | -3558.768 | 1.084 | -3557.684 | -3569.910 | 1.217 | -3568.693 | 11.143 | -0.133 | 11.010 | -3558.501 | 11.409 |