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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 | -131.9342454 | -132.2948505 | 0.3606051 | 0.0000000 | 132.2948505 | ||||||
| cm-1 | 9568.1 | 9440.1 | 128.0 | ||||||||
| eV | -3590.113 | 1.186 | -3588.927 | -3599.926 | 1.170 | -3598.756 | 9.813 | 0.016 | 9.828 | 0.000 | 3599.926 |