| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| 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 | -2690.2039277 | -2690.5715637 | 0.3676360 | 0.0000000 | 2690.5715637 | ||||||
| cm-1 | 282.1 | 286.8 | -4.7 | ||||||||
| eV | -73204.172 | 0.035 | -73204.137 | -73214.176 | 0.036 | -73214.140 | 10.004 | -0.001 | 10.003 | 0.000 | 73214.176 |