KINISOT.py v 2.0.1: 2023-08-24 12:09 
  Found vibrational scaling factor 0.975 for RwB97XD/def2TZVPP level of theory 
  REF: I. M. Alecu, J. Zheng, Y. Zhao, and D. G. Truhlar, J. Chem. Theory Comput. 6, 2872-2887 (2010). 

                                                     Temp = 250.15K / Vib. scale factor = 0.975 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01_reactant   -------------------------------------------------------------------------- 
o Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01      529.4 
o Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01_reactant: iso @ 14             6.615e+01  1.079e+00  2.662e+00 
o Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01: iso @ 14      508.0  5.519e+01  1.057e+00  2.763e+00 
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  KIE @ 250.15 K                                    1.042092   1.198555   1.020570   0.963331   1.227954   1.037023   1.273416 
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