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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 | -4799.6491640 | -4799.9740940 | 0.3249300 | 0.0000000 | 4799.9740940 | ||||||
| cm-1 | 257.7 | 224.7 | 33.0 | ||||||||
| eV | -130605.096 | 0.032 | -130605.064 | -130613.938 | 0.028 | -130613.910 | 8.842 | 0.004 | 8.846 | 0.000 | 130613.938 |