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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 | -116.2784167 | -116.5740765 | 0.2956599 | 0.0000000 | 116.5740765 | ||||||
| cm-1 | 14518.9 | 14067.4 | 451.5 | ||||||||
| eV | -3164.097 | 1.800 | -3162.297 | -3172.142 | 1.744 | -3170.398 | 8.045 | 0.056 | 8.101 | 0.000 | 3172.142 |