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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 | -323.5402690 | -323.7042692 | 0.1640002 | 0.0000000 | 323.7042692 | ||||||
| cm-1 | 57.4 | 77.0 | -19.6 | ||||||||
| eV | -8803.978 | 0.007 | -8803.971 | -8808.441 | 0.010 | -8808.432 | 4.463 | -0.002 | 4.460 | 0.000 | 8808.441 |