# Molecule : Ethylene
# Comment  : Absorption energies of the ethylene molecule
# code     : MRCC
# method   : CCSDTQ,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     B_{3u}       7.3
  1       1      A_1       1       1     B_{1u}       7.93
  1       1      A_1       1       1     B_{1g}       7.99
  1       1      A_1       1       3     B_{1u}       4.54
  1       1      A_1       1       3     B_{3u}       7.18
  1       1      A_1       1       3     B_{1g}       7.94