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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 | -454.7480219 | -455.1497536 | 0.4017317 | 0.0000000 | 455.1497536 | ||||||
| cm-1 | 1197.5 | 1400.5 | -203.0 | ||||||||
| eV | -12374.323 | 0.148 | -12374.175 | -12385.255 | 0.174 | -12385.081 | 10.932 | -0.025 | 10.907 | 0.000 | 12385.255 |