Stanton based on the EOM-IP-CC method (EOMIP-CC-QD). We computed the linear diabatic coupling λ and the expansion coefficients κ at the equilibrium geometry of the neutral; λ was computed with EOM-IP-CCSD-QD/ANO1. A grid of 17x17 points stretching from -0.2 to 0.2 units along the dimensionless normal coordinates of the symmetric modes was used to calculate the EOM-IP-CCSD/ANO1 energies that were fitted into the 4th order polynomial in these coordinate to extract the κ parameters. The computed value of the linear diabatic coupling constant λ is 1,394 cm -1 . The complete set of KDC parameters is given in the SI.