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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 | -4776.7561325 | -4777.0729395 | 0.3168070 | 0.0000000 | 4777.0729395 | ||||||
| cm-1 | 159.4 | 153.3 | 6.0 | ||||||||
| eV | -129982.145 | 0.020 | -129982.125 | -129990.765 | 0.019 | -129990.746 | 8.621 | 0.001 | 8.622 | 0.000 | 129990.765 |