# Molecule : Acetaldehyde
# Comment  : 
# code     : MRCC
# method   : CCSDT,aug-cc-pVDZ
# geom     : CC3,aug-cc-pVTZ
# DOI      : 10.1021/acs.jctc.8b00406

# Initial state            Final state               Energies (eV)
#######################  #######################   ###############
# Number  Spin  Symm       Number  Spin  Symm         E_abs
  1       1      A_1       1       1     A''          4.32
  1       1      A_1       1       3     A''          3.95