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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 | -1194.3543025 | -1194.7094870 | 0.3551845 | 0.0000000 | 1194.7094870 | ||||||
| cm-1 | 663.8 | 744.8 | -81.0 | ||||||||
| eV | -32500.033 | 0.082 | -32499.951 | -32509.698 | 0.092 | -32509.606 | 9.665 | -0.010 | 9.655 | 0.000 | 32509.698 |