KINISOT.py v 2.0.1: 2023-08-24 18:49 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 226.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G16_PCM_PM7_chloroform_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy 1608.5 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_reactant_copy: iso @ 13 7.636e+01 1.060e+00 2.206e+00 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy: iso @ 13 1275.5 1.398e+01 1.041e+00 2.776e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.261045 5.461842 1.018282 0.794665 5.573416 1.087837 6.062971 --------------------------------------------------------------------------