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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 | -1192.9530355 | -1193.2976357 | 0.3446002 | 0.0000000 | 1193.2976357 | ||||||
| cm-1 | 644.7 | 714.7 | -70.0 | ||||||||
| eV | -32461.903 | 0.080 | -32461.823 | -32471.280 | 0.089 | -32471.191 | 9.377 | -0.009 | 9.368 | 0.000 | 32471.280 |