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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 | -2400.8081210 | -2401.1701810 | 0.3620600 | 0.0000000 | 2401.1701810 | ||||||
| cm-1 | 3142.7 | 3188.5 | -45.8 | ||||||||
| eV | -65329.311 | 0.390 | -65328.922 | -65339.164 | 0.395 | -65338.768 | 9.852 | -0.006 | 9.846 | 0.000 | 65339.164 |