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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 | -326.9767926 | -327.3273270 | 0.3505344 | 0.0000000 | 327.3273270 | ||||||
| cm-1 | 364.5 | 456.9 | -92.3 | ||||||||
| eV | -8897.491 | 0.045 | -8897.446 | -8907.030 | 0.057 | -8906.973 | 9.539 | -0.011 | 9.527 | 0.000 | 8907.030 |