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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 | -540.0739665 | -540.3968084 | 0.3228420 | 0.0000000 | 540.3968084 | ||||||
| cm-1 | 1167.4 | 967.1 | 200.3 | ||||||||
| eV | -14696.160 | 0.145 | -14696.015 | -14704.945 | 0.120 | -14704.825 | 8.785 | 0.025 | 8.810 | 0.000 | 14704.945 |