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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 | -91.6308866 | -92.2258488 | 0.5949622 | 0.0000000 | 92.2258488 | ||||||
| cm-1 | 992.7 | 907.3 | 85.3 | ||||||||
| eV | -2493.403 | 0.123 | -2493.280 | -2509.593 | 0.112 | -2509.480 | 16.190 | 0.011 | 16.200 | 0.000 | 2509.593 |