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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 | -48.9434627 | -49.2515859 | 0.3081232 | 0.0000000 | 49.2515859 | ||||||
| cm-1 | 205.5 | 482.3 | -276.7 | ||||||||
| eV | -1331.819 | 0.025 | -1331.794 | -1340.204 | 0.060 | -1340.144 | 8.384 | -0.034 | 8.350 | 0.000 | 1340.204 |