PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
carbon oxysulfide
2124 Carbon oxysulfide
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ΔHf: -33.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.7 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 11.2 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.
PM7
Carbon oxysulfide
D=0.71 H=-33.85 HR=C&P1970 I=11.2 IR=LLNBS82 DR=MCC1963
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54337583 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.16061789 +1 180.0000000 +1 0.0000000 +0 2 1 0