# Molecule  : Water
# Comment   : Delta ZPE energies of the water molecule
# code      : Gaussian16
# method    : B3LYP,6-31+G*
# GS        : CC3,aug-cc-pVTZ 
# ES        : CC2,cc-pVDZ 
# DOI       : 10.1021/acs.jctc.8b00406

# Initial state            Final state               Energies (eV)
#######################  #######################   ###############
# Number  Spin  Symm       Number  Spin  Symm         E_zpe
  1       1     A_1        1       1     B_1          0.01
  1       1     A_1        1       1     A_2          -0.02
  1       1     A_1        1       2     A_1          -0.03