# Molecule : Pyridazine
# Comment  : 
# code     : CFOUR
# method   : CC3,aug-cc-pVTZ
# geom     : CC3,aug-cc-pVTZ 
# set      : QUEST#3,0

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
#######################  #######################  ########################################  ############# ####### ##################### #############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          89.0           0.005        false
  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.37          86.9           _            false
  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.29          85.8           0.016        false
  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.74          86.2           _            false
  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.17          88.5           0.001        false
  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.37          87.0           0.004        false
  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.74          90.6           0.010        false
  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.19          97.1           _            false
  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.11          96.1           _            false
  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.38          98.5           _            true
  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          97.3           _            false
