PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
i-propyl radical
97 i-Propyl radical
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ΔHf: 16.8 kcal/mol, REF: J. L. Franklin, J. G. Dillard, H. M. Rosenstock, J. T. Herron, K. Draxl, F. H. Field, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).
OPEN(1,1) PM7
i-Propyl radical
H=16.8 HR=FDRH1969
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47067943 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.47065639 +1 120.8971837 +1 0.0000000 +0 1 2 0
H 1.07157471 +1 119.5157926 +1 179.9986499 +1 1 2 3
H 1.09893874 +1 112.1659890 +1 151.5753356 +1 2 1 3
H 1.10199589 +1 110.2676990 +1 -89.0342057 +1 2 1 3
H 1.09887789 +1 112.4966743 +1 30.4432498 +1 2 1 3
H 1.09892047 +1 112.1703983 +1 151.7004472 +1 3 1 2
H 1.09887678 +1 112.4907052 +1 30.5691515 +1 3 1 2
H 1.10198416 +1 110.2680647 +1 -88.9043189 +1 3 1 2