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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 | -224.8712397 | -225.3404121 | 0.4691724 | 0.0000000 | 225.3404121 | ||||||
| cm-1 | 1579.4 | 1645.4 | -66.0 | ||||||||
| eV | -6119.058 | 0.196 | -6118.862 | -6131.824 | 0.204 | -6131.620 | 12.767 | -0.008 | 12.759 | 0.000 | 6131.824 |