PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
4-chlorophenol
2381 4-Chlorophenol
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ΔHf: -34.8 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
4-Chlorophenol
H=-34.8 HR=WHSMC03
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.08508253 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39396003 +1 120.5229736 +1 0.0000000 +0 2 1 0
C 1.38828896 +1 118.7395920 +1 179.9707724 +1 3 2 1
C 1.39336100 +1 122.9503156 +1 -0.0075256 +1 4 3 2
C 1.38818845 +1 118.7909068 +1 0.0114371 +1 5 4 3
C 1.39681004 +1 121.0333256 +1 179.9600918 +1 2 1 3
O 1.35657566 +1 122.4895723 +1 0.0644079 +1 7 2 1
H 1.09109867 +1 120.0829358 +1 179.9989780 +1 3 2 4
Cl 1.71040590 +1 118.6044810 +1 -179.9902087 +1 4 3 5
H 1.09153633 +1 120.9141156 +1 179.9978710 +1 5 4 6
H 1.08818149 +1 121.7928944 +1 -179.9962208 +1 6 5 4
H 0.98843732 +1 112.3884683 +1 0.0126118 +1 8 7 2