# Molecule : Formaldehyde
# Comment  : 
# code     : MRCC
# method   : CCSDT,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      A_1       1       1     A_2          (n \rightarrow \pi^\star)               3.99          _              _            false
  1       1      A_1       1       1     B_2          (n \rightarrow 3s)                      7.04          _              _            false
  1       1      A_1       2       1     B_2          (n \rightarrow 3p)                      8.0           _              _            false
  1       1      A_1       2       1     A_1          (n \rightarrow 3p)                      8.07          _              _            false
  1       1      A_1       1       1     A_2          (n \rightarrow 3p)                      8.63          _              _            false
  1       1      A_1       1       1     B_1          (\sigma \rightarrow \pi^\star)          9.29          _              _            false
  1       1      A_1       3       1     A_1          (\pi \rightarrow \pi^\star)             9.59          _              _            false
  1       1      A_1       1       3     A_2          (n \rightarrow \pi^\star)               3.57          _              _            false
  1       1      A_1       1       3     A_1          (\pi \rightarrow \pi^\star)             6.08          _              _            false
  1       1      A_1       1       3     B_2          (n \rightarrow 3s)                      6.9           _              _            false
  1       1      A_1       2       3     B_2          (n \rightarrow 3p)                      7.82          _              _            false
  1       1      A_1       2       3     A_1          (n \rightarrow 3p)                      7.95          _              _            false
  1       1      A_1       1       3     B_1          (n \rightarrow 3d)                      8.47          _              _            false