| |
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 | -388.3349712 | -388.5877985 | 0.2528273 | 0.0000000 | 388.5877985 | ||||||
| cm-1 | 496.2 | 417.8 | 78.4 | ||||||||
| eV | -10567.132 | 0.062 | -10567.070 | -10574.012 | 0.052 | -10573.960 | 6.880 | 0.010 | 6.890 | 0.000 | 10574.012 |