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 HNO (Nitrosyl hydride)

2009091408

G3B3

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -130.0364740     -130.4125170     0.3760430     0.0000000 130.4125170
cm-1   3002.4     3046.5     -44.1      
eV -3538.472 0.372 -3538.100 -3548.705 0.378 -3548.327 10.233 -0.005 10.227 0.000 3548.705
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).