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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 | -2397.9013266 | -2398.2389840 | 0.3376574 | 0.0000000 | 2398.2389840 | ||||||
| cm-1 | 1097.0 | 1129.6 | -32.6 | ||||||||
| eV | -65250.213 | 0.136 | -65250.077 | -65259.402 | 0.140 | -65259.262 | 9.188 | -0.004 | 9.184 | 0.000 | 65259.402 |