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 | -110.2579412 | -110.6051800 | 0.3472388 | 0.0000000 | 110.6051800 | ||||||
cm-1 | 5617.1 | 6007.4 | -390.4 | ||||||||
eV | -3000.271 | 0.696 | -2999.575 | -3009.720 | 0.745 | -3008.975 | 9.449 | -0.048 | 9.400 | 0.000 | 3009.720 |