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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 | -499.7352593 | -500.1507119 | 0.4154527 | 0.0000000 | 500.1507119 | ||||||
| cm-1 | 6933.7 | 7992.5 | -1058.8 | ||||||||
| eV | -13598.488 | 0.860 | -13597.628 | -13609.793 | 0.991 | -13608.802 | 11.305 | -0.131 | 11.174 | 0.000 | 13609.793 |