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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 | -38.7767654 | -39.1541582 | 0.3773928 | 0.0000000 | 39.1541582 | ||||||
| cm-1 | 3444.5 | 3664.0 | -219.4 | ||||||||
| eV | -1055.169 | 0.427 | -1054.742 | -1065.439 | 0.454 | -1064.985 | 10.269 | -0.027 | 10.242 | 0.000 | 1065.439 |