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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 | -137.4339615 | -137.7787676 | 0.3448061 | 0.0000000 | 137.7787676 | ||||||
| cm-1 | 867.6 | 634.4 | 233.2 | ||||||||
| eV | -3739.768 | 0.108 | -3739.661 | -3749.151 | 0.079 | -3749.072 | 9.383 | 0.029 | 9.412 | 0.000 | 3749.151 |