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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 | -149.9279847 | -150.3830569 | 0.4550723 | 0.0000000 | 150.3830569 | ||||||
| cm-1 | 972.1 | 771.3 | 200.8 | ||||||||
| eV | -4079.748 | 0.121 | -4079.627 | -4092.131 | 0.096 | -4092.035 | 12.383 | 0.025 | 12.408 | 0.000 | 4092.131 |