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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 | -150.2002045 | -150.5977690 | 0.3975645 | 0.0000000 | 150.5977690 | ||||||
| cm-1 | 2974.4 | 3204.1 | -229.7 | ||||||||
| eV | -4087.155 | 0.369 | -4086.787 | -4097.974 | 0.397 | -4097.576 | 10.818 | -0.028 | 10.790 | 0.000 | 4097.974 |