PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
pentachloroethane
2631 Pentachloroethane
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ΔHf: -33.9 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
Pentachloroethane
H=-33.9 HR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.51151542 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 1.76283280 +1 109.6212357 +1 0.0000000 +0 1 2 0
Cl 1.75249498 +1 112.3660794 +1 121.0709507 +1 1 2 3
Cl 1.76496875 +1 109.5698394 +1 120.8918653 +1 1 2 4
Cl 1.76169574 +1 110.0957814 +1 179.4581359 +1 2 1 3
Cl 1.76242025 +1 109.9922357 +1 119.3311980 +1 2 1 6
H 1.11671189 +1 113.5077300 +1 120.3186063 +1 2 1 7