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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 | -77.7123315 | -78.0317181 | 0.3193867 | -77.7042103 | 0.3275079 | ||||||
| cm-1 | 10479.1 | 10801.5 | -322.4 | ||||||||
| eV | -2114.660 | 1.299 | -2113.361 | -2123.351 | 1.339 | -2122.012 | 8.691 | -0.040 | 8.651 | -2114.439 | 8.912 |