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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 | -113.9995234 | -114.3337725 | 0.3342490 | 0.0000000 | 114.3337725 | ||||||
| cm-1 | 664.6 | 599.4 | 65.2 | ||||||||
| eV | -3102.085 | 0.082 | -3102.002 | -3111.180 | 0.074 | -3111.106 | 9.095 | 0.008 | 9.103 | 0.000 | 3111.180 |