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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 | -132.0473673 | -132.4199135 | 0.3725461 | 0.0000000 | 132.4199135 | ||||||
| cm-1 | 9452.9 | 9405.9 | 47.0 | ||||||||
| eV | -3593.192 | 1.172 | -3592.020 | -3603.329 | 1.166 | -3602.163 | 10.137 | 0.006 | 10.143 | 0.000 | 3603.329 |