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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 | -27.2545078 | -27.5857106 | 0.3312028 | 0.0000000 | 27.5857106 | ||||||
| cm-1 | 9923.9 | 8402.3 | 1521.6 | ||||||||
| eV | -741.633 | 1.230 | -740.402 | -750.645 | 1.042 | -749.604 | 9.012 | 0.189 | 9.201 | 0.000 | 750.645 |