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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 | -674.7739996 | -675.0206687 | 0.2466691 | 0.0000000 | 675.0206687 | ||||||
| cm-1 | 59.8 | 224.5 | -164.7 | ||||||||
| eV | -18361.534 | 0.007 | -18361.527 | -18368.247 | 0.028 | -18368.219 | 6.712 | -0.020 | 6.692 | 0.000 | 18368.247 |