![]() |
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 | -15.4975476 | -15.9160585 | 0.4185109 | 0.0000000 | 15.9160585 | ||||||
cm-1 | 1777.8 | 2779.0 | -1001.2 | ||||||||
eV | -421.710 | 0.220 | -421.489 | -433.098 | 0.345 | -432.753 | 11.388 | -0.124 | 11.264 | 0.000 | 433.098 |