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

# Initial state            Final state               Energies (eV)
#######################  #######################   ###############
# Spin  Number  Symm       Spin  Number  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