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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 | -2400.1525224 | -2400.4920337 | 0.3395113 | 0.0000000 | 2400.4920337 | ||||||
| cm-1 | 1171.3 | 1218.7 | -47.3 | ||||||||
| eV | -65311.472 | 0.145 | -65311.326 | -65320.710 | 0.151 | -65320.559 | 9.239 | -0.006 | 9.233 | 0.000 | 65320.710 |