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

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
#######################  #######################  ########################################  ############# ####### ################### ##############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     \Sigma     1       1     \Pi          (n \rightarrow \pi^\star)               8.56          _              _            false
  1       1     \Sigma     1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             10.06         _              _            false
  1       1     \Sigma     1       1     \Delta       (\pi \rightarrow \pi^\star)             10.17         _              _            false
  1       1     \Sigma     1       1     \Sigma^+     (\mathrm{R})                            10.93         _              _            false
  1       1     \Sigma     2       1     \Sigma^+     (\mathrm{R})                            11.51         _              _            false
  1       1     \Sigma     2       1     \Pi          (\mathrm{R})                            11.76         _              _            false
  1       1     \Sigma     1       3     \Pi          (n \rightarrow \pi^\star)               6.29          _              _            false
  1       1     \Sigma     1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.44          _              _            false
  1       1     \Sigma     1       3     \Delta       (\pi \rightarrow \pi^\star)             9.34          _              _            false
  1       1     \Sigma     2       3     \Sigma^+     (\mathrm{R})                            10.42         _              _            false