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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 | -77.3363165 | -77.6403165 | 0.3040000 | 0.0000000 | 77.6403165 | ||||||
| cm-1 | 7322.7 | 7717.3 | -394.6 | ||||||||
| eV | -2104.428 | 0.908 | -2103.520 | -2112.700 | 0.957 | -2111.744 | 8.272 | -0.049 | 8.223 | 0.000 | 2112.700 |