Accuracy
ethylene glycol
899 Ethylene glycol
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Geometry predicted using PM7
ΔHf: -93.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Ethylene glycol
H=-93.9 HR=C&P1970 S=72.61 CP=19.77
C -0.00171785 +1 0.03913429 +1 0.01984447 +1
C 1.45478810 +1 0.33125405 +1 -0.39556953 +1
H 1.54993308 +1 1.25580799 +1 -0.99467689 +1
H 2.12873140 +1 0.39667257 +1 0.47636748 +1
O 1.93607523 +1 -0.66215862 +1 -1.27246901 +1
H -0.67829019 +1 0.87693495 +1 -0.22331596 +1
O -0.47706074 +1 -1.13087118 +1 -0.60684262 +1
H -0.09758176 +1 -0.20014693 +1 1.09483094 +1
H -0.35598743 +1 -1.06750652 +1 -1.58183210 +1
H 1.81324715 +1 -1.55471665 +1 -0.87602445 +1