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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 | -674.7972949 | -675.0249051 | 0.2276102 | 0.0000000 | 675.0249051 | ||||||
| cm-1 | 58.4 | 219.0 | -160.6 | ||||||||
| eV | -18362.168 | 0.007 | -18362.161 | -18368.362 | 0.027 | -18368.335 | 6.194 | -0.020 | 6.174 | 0.000 | 18368.362 |