# Molecule : Cyclopropenethione
# Comment  : 
# code     : CFOUR
# method   : CC3,6-31+G(d)
# geom     : CC3,aug-cc-pVTZ 
# DOI      : 10.1021/acs.jctc.9b01216

# 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)               3.46          _              _            false
  1       1     A_1        1       1     B_1          (n \rightarrow \pi^\star)               3.45          _              _            false
  1       1     A_1        1       1     B_2          (\pi \rightarrow \pi^\star)             4.67          _              _            false
  1       1     A_1        2       1     B_2          (n \rightarrow 3s)                      5.26          _              _            false
  1       1     A_1        2       1     A_1          (\pi \rightarrow \pi^\star)             5.53          _              _            false
  1       1     A_1        3       1     B_2          (n \rightarrow 3p)                      5.83          _              _            false
  1       1     A_1        1       3     A_2          (n \rightarrow \pi^\star)               3.33          _              _            false
  1       1     A_1        1       3     B_1          (n \rightarrow \pi^\star)               3.34          _              _            false
  1       1     A_1        1       3     B_2          (\pi \rightarrow \pi^\star)             4.01          _              _            false
  1       1     A_1        1       3     A_1          (\pi \rightarrow \pi^\star)             4.06          _              _            false
