Accuracy
ethyne sulfenic acid
2124 Ethyne sulfenic acid
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Geometry predicted using PM7
ΔHf: 24.4 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
Ethyne sulfenic acid
H=24.4 HR=NIST
O 0.14680923 +1 -0.32138248 +1 0.40509673 +1
S 1.80318974 +1 -0.08681192 +1 0.20095212 +1
C 1.92788361 +1 1.55414537 +1 0.05097774 +1
C 2.06686927 +1 2.75638265 +1 -0.05608461 +1
H -0.31713440 +1 -0.36567614 +1 -0.45202898 +1
H 2.19481728 +1 3.77531211 +1 -0.14623710 +1