Accuracy
carbon suboxide
901 Carbon suboxide
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Geometry predicted using PM7
ΔHf: -22.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.6 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.
Carbon suboxide
H=-22.4 HR=C&P1970 I=10.6 IR=LLNBS82 HWT=0.5
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.15868910 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.27953216 +1 180.0000000 +0 0.0000000 +0 2 1 0
C 1.27954002 +1 180.0000000 +0 0.0000000 +0 3 2 1
O 1.15869235 +1 179.0000000 +0 0.0000000 +0 4 3 2