PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
vinylacetylene
110 Vinylacetylene
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ΔHf: 72.8 kcal/mol, REF: D. R. Stull, E. F. Westrum, Jr., G. C. Sinke, "The Chemical Thermodynamics of Organic Compounds," Wiley, New York, N.Y., 1969.
PM7
Vinylacetylene
H=72.8 HR=SWS1969
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33749781 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40788554 +1 122.8092902 +1 0.0000000 +0 2 1 0
XX 1.00000000 +0 90.0000000 +0 180.0000000 +0 3 2 1
C 1.21195813 +1 90.0000000 +0 180.0000000 +0 3 4 2
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 5 3 4
H 1.02827121 +1 90.0000000 +0 180.0000000 +0 5 6 3
H 1.08035903 +1 123.5920557 +1 0.0000000 +0 1 2 3
H 1.07974287 +1 123.1682539 +1 180.0000000 +0 1 2 3
H 1.09736511 +1 121.9332171 +1 180.0000000 +0 2 1 3