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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 | -474.0497463 | -474.3692991 | 0.3195528 | 0.0000000 | 474.3692991 | ||||||
| cm-1 | 476.2 | 397.1 | 79.1 | ||||||||
| eV | -12899.550 | 0.059 | -12899.491 | -12908.245 | 0.049 | -12908.196 | 8.695 | 0.010 | 8.705 | 0.000 | 12908.245 |