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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 | -290.9274338 | -291.2250780 | 0.2976442 | 0.0000000 | 291.2250780 | ||||||
| cm-1 | 4891.2 | 4662.6 | 228.7 | ||||||||
| eV | -7916.538 | 0.606 | -7915.932 | -7924.637 | 0.578 | -7924.059 | 8.099 | 0.028 | 8.128 | 0.000 | 7924.637 |