PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclopentane
162 Cyclopentane
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ΔHf: -18.3 kcal/mol, REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
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
Cyclopentane
H=-18.3 HR=CATCH I=10.5 IR=LLNBS82
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 0.77075333 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.47091026 +1 90.0000000 +0 0.0000000 +0 2 1 0
C 0.77075333 +0 90.0000000 +0 180.0000000 +0 2 3 1
C 1.22571102 +1 90.0000000 +0 180.0000000 +0 3 2 1
C 1.22571102 +0 90.0000000 +0 0.0000000 +0 3 2 1
C 0.92815466 +1 153.5564703 +1 90.0000000 +0 3 2 1
H 1.10088199 +1 111.2053112 +1 121.4991025 +1 1 4 5
H 1.10208855 +1 110.5526368 +1 -120.7457388 +1 1 4 5
H 1.10088199 +0 111.2053112 +0 -121.4988580 +1 4 1 6
H 1.10208855 +0 110.5526368 +0 120.7459518 +1 4 1 6
H 1.10307860 +1 110.4546858 +1 -103.6937046 +1 5 4 1
H 1.10013341 +1 111.6470952 +1 138.1350186 +1 5 4 1
H 1.10307860 +0 110.4546858 +0 103.6921678 +1 6 1 4
H 1.10013341 +0 111.6470952 +0 -138.1464274 +1 6 1 4
H 1.10009896 +1 127.9842075 +1 90.0018930 +0 7 3 5
H 1.10335298 +1 125.4582907 +1 -90.0020560 +0 7 3 5