PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
chloroacetylene
2338 Chloroacetylene
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ΔHf: 51.1 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).
Dipole: 0.4 Debye, REF: P. Scharffenberg, Theo. Chim. Acta 49, 115 (1978).
PM7
Chloroacetylene
H=51.1 HR=JANAF86 D=0.44 DR=S1978 S=57.84 CP=12.98
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.03052821 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.20892410 +1 180.0000000 +0 0.0000000 +0 2 1 0
Cl 1.59756322 +1 180.0000000 +0 0.0000000 +0 3 2 1