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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 | -24.3329235 | -24.7350182 | 0.4020948 | 0.0000000 | 24.7350182 | ||||||
| cm-1 | 458.4 | 402.1 | 56.3 | ||||||||
| eV | -662.133 | 0.057 | -662.076 | -673.074 | 0.050 | -673.024 | 10.942 | 0.007 | 10.949 | 0.000 | 673.074 |