PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
acetyl chloride
2378 Acetyl chloride
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ΔHf: -58.0 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
Acetyl chloride
H=-58 HR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47391543 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.18398285 +1 131.0396859 +1 0.0000000 +0 2 1 0
Cl 1.78553200 +1 111.7169007 +1 179.9814776 +1 2 1 3
H 1.10584270 +1 111.9723687 +1 120.9001301 +1 1 2 3
H 1.10572396 +1 111.9705283 +1 119.0339466 +1 1 2 5
H 1.10384977 +1 111.6659941 +1 120.6080650 +1 1 2 6