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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 | -106.7811395 | -107.1577434 | 0.3766040 | 0.0000000 | 107.1577434 | ||||||
| cm-1 | 138.1 | 466.9 | -328.8 | ||||||||
| eV | -2905.663 | 0.017 | -2905.645 | -2915.910 | 0.058 | -2915.853 | 10.248 | -0.041 | 10.207 | 0.000 | 2915.910 |