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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 | -154.1289490 | -154.3731621 | 0.2442131 | 0.0000000 | 154.3731621 | ||||||
| cm-1 | 14498.2 | 13981.9 | 516.3 | ||||||||
| eV | -4194.062 | 1.798 | -4192.264 | -4200.707 | 1.734 | -4198.974 | 6.645 | 0.064 | 6.709 | 0.000 | 4200.707 |