| |
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 | -108.6680971 | -109.2339943 | 0.5658972 | 0.0000000 | 109.2339943 | ||||||
| cm-1 | 1086.4 | 1156.8 | -70.3 | ||||||||
| eV | -2957.009 | 0.135 | -2956.875 | -2972.408 | 0.143 | -2972.265 | 15.399 | -0.009 | 15.390 | 0.000 | 2972.408 |