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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 | -474.6585942 | -474.9728175 | 0.3142232 | 0.0000000 | 474.9728175 | ||||||
| cm-1 | 481.1 | 394.5 | 86.6 | ||||||||
| eV | -12916.117 | 0.060 | -12916.058 | -12924.668 | 0.049 | -12924.619 | 8.550 | 0.011 | 8.561 | 0.000 | 12924.668 |