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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 | -422.5416710 | -422.9496232 | 0.4079522 | 0.0000000 | 422.9496232 | ||||||
| cm-1 | 583.1 | 557.7 | 25.4 | ||||||||
| eV | -11497.944 | 0.072 | -11497.871 | -11509.045 | 0.069 | -11508.975 | 11.101 | 0.003 | 11.104 | 0.000 | 11509.045 |