Accuracy
2,3-dimethyl-2-butanethiol
2093 2,3-Dimethyl-2-butanethiol
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Geometry predicted using PM7
ΔHf: -35.3 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
2,3-Dimethyl-2-butanethiol
H=-35.34 HR=NIST
C -0.01999058 +1 0.01951563 +1 0.01265736 +1
C 1.50092224 +1 0.09903090 +1 -0.03905752 +1
S -0.72014855 +1 1.76435632 +1 0.04157061 +1
C -0.54714501 +1 -0.66628100 +1 -1.24756826 +1
C -0.54390406 +1 -0.68644513 +1 1.28766896 +1
C -0.13050067 +1 -2.16774251 +1 1.31682141 +1
C -0.05349759 +1 -0.02589929 +1 2.58269768 +1
H 1.92042241 +1 0.66325726 +1 0.80478484 +1
H 1.94411748 +1 -0.90545126 +1 0.00064742 +1
H 1.86827592 +1 0.56815898 +1 -0.95914417 +1
H -0.31125293 +1 2.18301944 +1 -1.16182768 +1
H -1.64124247 +1 -0.75506089 +1 -1.24668331 +1
H -0.14634288 +1 -1.68529848 +1 -1.33964689 +1
H -0.26078513 +1 -0.14146750 +1 -2.16625899 +1
H -1.66453850 +1 -0.64984358 +1 1.27479556 +1
H -0.51894886 +1 -2.72073253 +1 0.45656648 +1
H 0.95793952 +1 -2.28375381 +1 1.32857260 +1
H -0.51922674 +1 -2.65974928 +1 2.21627406 +1
H 1.03931293 +1 -0.03270607 +1 2.65554033 +1
H -0.38178048 +1 1.01580513 +1 2.67650450 +1
H -0.44185634 +1 -0.55717837 +1 3.45940043 +1