PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethylene
65 Ethylene
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ΔHf: 12.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.5 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PM7
Ethylene
I=10.51 IR=LLNBS82 HR=C&P1970 H=12.45,0.10
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.32958102 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.07987472 +1 123.6578309 +1 0.0000000 +0 2 1 0
H 1.07987472 +1 123.6578309 +1 0.0000000 +1 1 2 3
H 1.07987472 +1 123.6578309 +1 180.0000000 +1 1 2 3
H 1.07987472 +1 123.6578309 +1 0.0000000 +1 2 1 5