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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 | -702.3383734 | -702.6741453 | 0.3357719 | 0.0000000 | 702.6741453 | ||||||
| cm-1 | 281.1 | 223.3 | 57.9 | ||||||||
| eV | -19111.599 | 0.035 | -19111.564 | -19120.736 | 0.028 | -19120.708 | 9.137 | 0.007 | 9.144 | 0.000 | 19120.736 |