KINISOT.py v 2.0.1: 2023-09-10 09:28 Temp = 195.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react -------------------------------------------------------------------------- o endo-TS1 281.8 o endo-react: iso @ 13 2.084e+02 1.049e+00 2.678e+00 o endo-TS1: iso @ 13 270.3 9.085e+01 1.032e+00 2.756e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.042589 2.293517 1.016633 0.971484 2.361646 1.015622 2.398541 -------------------------------------------------------------------------- KIE = 1.907447 (2.398541/1.257461)