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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 | -149.8503037 | -150.3045783 | 0.4542746 | 0.0000000 | 150.3045783 | ||||||
| cm-1 | 967.7 | 772.0 | 195.7 | ||||||||
| eV | -4077.634 | 0.120 | -4077.514 | -4089.996 | 0.096 | -4089.900 | 12.361 | 0.024 | 12.386 | 0.000 | 4089.996 |