Accuracy
trans-2-pentene
163 trans-2-Pentene
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Geometry predicted using PM7
ΔHf: -7.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
trans-2-Pentene
H=-7.9 HR=C&P1970
C -0.00470288 +1 -0.00624243 +1 -0.02905410 +1
C 1.48468717 +1 -0.01911856 +1 -0.00273579 +1
C 2.22690405 +1 1.08607956 +1 -0.11504550 +1
C 3.72179599 +1 1.06849513 +1 -0.07155601 +1
C 4.31075786 +1 1.87021382 +1 -1.23526947 +1
H 5.40478635 +1 1.82053522 +1 -1.23648972 +1
H 4.02628438 +1 2.92631167 +1 -1.18136083 +1
H 3.96093324 +1 1.48314441 +1 -2.19944387 +1
H 4.11531947 +1 0.03262793 +1 -0.09364890 +1
H 4.06649178 +1 1.49459903 +1 0.89458293 +1
H 1.78468094 +1 2.07197414 +1 -0.24116098 +1
H 1.92924966 +1 -1.00504317 +1 0.11709632 +1
H -0.41936204 +1 -0.40594118 +1 0.90790158 +1
H -0.38996101 +1 -0.63078776 +1 -0.84789082 +1
H -0.42210311 +1 0.99953430 +1 -0.16464983 +1