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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 | -629.5073045 | -629.8232573 | 0.3159528 | 0.0000000 | 629.8232573 | ||||||
| cm-1 | 228.8 | 289.2 | -60.4 | ||||||||
| eV | -17129.765 | 0.028 | -17129.737 | -17138.362 | 0.036 | -17138.327 | 8.598 | -0.007 | 8.590 | 0.000 | 17138.362 |