Sorry. I lost your molecule. Please back up and try again.
return to home page 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

Calculated Ionization Energy for for ClO (Monochlorine monoxide)

2009091E

HSEh1PBE/TZVP

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -534.7284307     -535.1298424     0.4014117     0.0000000 535.1298424
cm-1   528.0     411.9     116.1      
eV -14550.701 0.065 -14550.635 -14561.624 0.051 -14561.572 10.923 0.014 10.937 0.000 14561.624
A scaling factor of 0.9601 was used for the vibrational zero-point energy (VZPE).