PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phosphorus trichloride
2590 Phosphorus trichloride
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ΔHf: -69.0 kcal/mol, REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
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
Phosphorus trichloride
H=-69.0 HR=JANAF86 I=10.5 IR=LLNBS82 S=74.52 CP=17.16
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.97351676 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 1.97351676 +0 102.4776350 +1 0.0000000 +0 2 1 0
Cl 1.97351676 +0 102.4776350 +0 -105.9914372 +1 2 1 3