PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-chlorobenzoic acid
2390 3-Chlorobenzoic acid
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ΔHf: -81.7 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
3-Chlorobenzoic acid
H=-81.7 HR=WHSMC03
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.09572090 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.38739348 +1 121.8721852 +1 0.0000000 +0 2 1 0
C 1.39086783 +1 122.5358904 +1 -179.9969255 +1 3 2 1
C 1.39383308 +1 118.6195886 +1 -0.0026258 +1 4 3 2
C 1.39480940 +1 120.2676669 +1 -0.0033420 +1 5 4 3
C 1.39577118 +1 119.8272213 +1 0.0068113 +1 6 5 4
C 1.47240411 +1 121.5509581 +1 -179.9923164 +1 7 6 5
O 1.20417607 +1 127.8167837 +1 179.9481991 +1 8 7 6
Cl 1.70763634 +1 118.6591463 +1 179.9870870 +1 3 2 4
H 1.09122617 +1 121.0211368 +1 179.9997801 +1 4 3 5
H 1.08985693 +1 119.8761676 +1 -179.9962784 +1 5 4 6
H 1.09387048 +1 120.1304191 +1 -179.9982331 +1 6 5 7
O 1.35973188 +1 111.6876813 +1 -179.9995200 +1 8 7 9
H 0.99075088 +1 113.0131884 +1 179.9930691 +1 14 8 7