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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 | -212.3457509 | -212.6729901 | 0.3272392 | 0.0000000 | 212.6729901 | ||||||
| cm-1 | 2389.9 | 1811.4 | 578.5 | ||||||||
| eV | -5778.222 | 0.296 | -5777.925 | -5787.126 | 0.225 | -5786.902 | 8.905 | 0.072 | 8.976 | 0.000 | 5787.126 |