Accuracy
cyclopentanthiol
2089 Cyclopentanthiol
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Geometry predicted using PM7
ΔHf: -11.4 kcal/mol, REF: M. Mansson, S. Sunner, Acta Chem. Scand., 16, 1863 (1962).
PM7
Cyclopentanthiol
H=-11.4 HR=MS1962
C -0.01601788 +1 -0.02595394 +1 0.00163764 +1
C 1.51108078 +1 -0.00915286 +1 0.14032495 +1
C 1.97798821 +1 1.36588991 +1 -0.37266779 +1
C -0.43999481 +1 1.44190084 +1 0.12891285 +1
C 0.73153517 +1 2.27182129 +1 -0.42581960 +1
S -0.55703728 +1 -0.76630810 +1 -1.59899106 +1
H 0.05202761 +1 0.05997011 +1 -2.45789356 +1
H -0.49178232 +1 -0.65989785 +1 0.78030916 +1
H 2.00724613 +1 -0.83658605 +1 -0.39178407 +1
H 1.79236414 +1 -0.13758748 +1 1.20253905 +1
H 2.44613874 +1 1.27976886 +1 -1.36643524 +1
H 2.74959991 +1 1.78930772 +1 0.28990068 +1
H -1.38992021 +1 1.67171815 +1 -0.38060907 +1
H -0.61330717 +1 1.68776070 +1 1.19388975 +1
H 0.53040434 +1 2.60295116 +1 -1.45766045 +1
H 0.87825607 +1 3.19173295 +1 0.16231534 +1