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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 | -578.5574322 | -578.8541499 | 0.2967178 | 0.0000000 | 578.8541499 | ||||||
| cm-1 | 213.8 | 262.5 | -48.7 | ||||||||
| eV | -15743.348 | 0.027 | -15743.322 | -15751.422 | 0.033 | -15751.390 | 8.074 | -0.006 | 8.068 | 0.000 | 15751.422 |