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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 | -153.9685092 | -154.4198978 | 0.4513886 | 0.0000000 | 154.4198978 | ||||||
| cm-1 | 752.0 | 552.4 | 199.6 | ||||||||
| eV | -4189.696 | 0.093 | -4189.603 | -4201.979 | 0.068 | -4201.911 | 12.283 | 0.025 | 12.308 | 0.000 | 4201.979 |