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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 | -674.7952755 | -675.0295388 | 0.2342634 | -674.6687275 | 0.3608113 | ||||||
| cm-1 | 62.0 | 218.9 | -157.0 | ||||||||
| eV | -18362.113 | 0.008 | -18362.106 | -18368.488 | 0.027 | -18368.461 | 6.375 | -0.019 | 6.355 | -18358.670 | 9.818 |