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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 | -127.7791502 | -128.1205052 | 0.3413549 | 0.0000000 | 128.1205052 | ||||||
| cm-1 | 908.4 | 839.9 | 68.5 | ||||||||
| eV | -3477.048 | 0.113 | -3476.935 | -3486.336 | 0.104 | -3486.232 | 9.289 | 0.008 | 9.297 | 0.000 | 3486.336 |