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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 | -638.3919320 | -638.7579183 | 0.3659864 | 0.0000000 | 638.7579183 | ||||||
| cm-1 | 316.6 | 305.9 | 10.7 | ||||||||
| eV | -17371.528 | 0.039 | -17371.489 | -17381.487 | 0.038 | -17381.449 | 9.959 | 0.001 | 9.960 | 0.000 | 17381.487 |