KINISOT.py v 2.0.1: 2024-07-16 06:13 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; using value of 1.0 Temp = 195.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Ra -------------------------------------------------------------------------- o TS3a 494.4 o Ra: iso @ 18 19 24 25 26 32 33 34 35 37 38 39 40 6.546e+30 4.192e+00 5.028e+05 o TS3a: iso @ 18 19 24 25 26 32 33 34 35 37 38 39 40 399.6 1.892e+30 3.273e+00 6.199e+05 -------------------------------------------------------------------------- KIE @ 195.15 K 1.237417 3.458968 1.280740 0.811118 4.446393 1.271588 5.653979 --------------------------------------------------------------------------