PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fluoroethylene
1500 Fluoroethylene
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ΔHf: -32.5 kcal/mol, REF: R. F. Lake, H. Thompson, Proc. R. Soc. London, Ser. A, 315, 323 (1970).
Dipole: 1.4 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
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.
PM7
Fluoroethylene
I=10.58 IR=LLNBS82 D=1.43 H=-32.5 DR=MCC1963 HR=LT1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33048870 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09132447 +1 127.9119018 +1 0.0000000 +0 2 1 0
H 1.07872968 +1 123.0138073 +1 0.0000000 +0 1 2 3
H 1.08035670 +1 124.4672945 +1 180.0000000 +0 1 2 3
F 1.33030768 +1 119.4544045 +1 0.0000000 +0 2 1 5