non_chiral_soc_unc.out      : Spin-orbit coupling calculations for molecule (3), with basis set for Sr uncontracted
single_soc_unc.inp.out      : Spin-orbit coupling calculations for the R-isomer of molecule (2) with uncontracted basis set
soc_left_nonchiral.out      : Spin-orbit coupling calculations for molecule (3)
soc_right_nonchiral.out     : Spin-orbit coupling calculations for molecule (3) (mirrored from soc_left_nonchiral.out
ea_left_soc.out             : Spin-orbit coupling calculations for the R-isomer of molecule (1)
ea_right_soc.out            : Spin-orbit coupling calculations for the S-isomer of molecule (1)
ea_left_soc_unc.out         : Spin-orbit coupling calculations for the R-isomer of molecule (1) with uncontracted basis set
ea_right_soc_unc.out        : Spin-orbit coupling calculations for the S-isomer of molecule (1) with uncontracted basis set
soc_left_single.out         : Spin-orbit coupling calculations for the R-isomer of molecule (2)
soc_right_single.out        : Spin-orbit coupling calculations for the S-isomer of molecule (2)

Basis set used: cc-pVDZ[H,C,O,F]/aug-cc-pwCVDZ-X2C[Sr]