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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 | -129.2435503 | -129.5792505 | 0.3357002 | 0.0000000 | 129.5792505 | ||||||
| cm-1 | 1126.8 | 912.5 | 214.4 | ||||||||
| eV | -3516.896 | 0.140 | -3516.756 | -3526.031 | 0.113 | -3525.918 | 9.135 | 0.027 | 9.161 | 0.000 | 3526.031 |