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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 | -127.1066507 | -127.4479461 | 0.3412954 | 0.0000000 | 127.4479461 | ||||||
| cm-1 | 856.2 | 807.9 | 48.3 | ||||||||
| eV | -3458.748 | 0.106 | -3458.642 | -3468.035 | 0.100 | -3467.935 | 9.287 | 0.006 | 9.293 | 0.000 | 3468.035 |