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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 | -56.1956545 | -56.5707990 | 0.3751445 | 0.0000000 | 56.5707990 | ||||||
| cm-1 | 6924.0 | 7243.5 | -319.5 | ||||||||
| eV | -1529.162 | 0.858 | -1528.303 | -1539.370 | 0.898 | -1538.472 | 10.208 | -0.040 | 10.169 | 0.000 | 1539.370 |