![]() |
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 | -130.1682946 | -130.5363052 | 0.3680106 | 0.0000000 | 130.5363052 | ||||||
cm-1 | 2945.6 | 3010.2 | -64.6 | ||||||||
eV | -3542.059 | 0.365 | -3541.694 | -3552.074 | 0.373 | -3551.700 | 10.014 | -0.008 | 10.006 | 0.000 | 3552.074 |