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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 | -150.4134248 | -150.8233367 | 0.4099119 | 0.0000000 | 150.8233367 | ||||||
| cm-1 | 2792.7 | 3040.9 | -248.3 | ||||||||
| eV | -4092.957 | 0.346 | -4092.611 | -4104.112 | 0.377 | -4103.735 | 11.154 | -0.031 | 11.123 | 0.000 | 4104.112 |