PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-chloropropane
2347 2-Chloropropane
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ΔHf: -34.6 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
2-Chloropropane
H=-34.6 HR=WHSMC03
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.80785670 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51336458 +1 107.0655805 +1 0.0000000 +0 2 1 0
C 1.51371267 +1 107.0358279 +1 121.9838672 +1 2 1 3
H 1.11052302 +1 104.2010186 +1 118.9629465 +1 2 1 4
H 1.09977275 +1 112.1536178 +1 60.9150568 +1 3 2 1
H 1.09800320 +1 111.3125925 +1 119.8925789 +1 3 2 6
H 1.09979174 +1 111.9434938 +1 119.9251473 +1 3 2 7
H 1.09781575 +1 111.3260786 +1 179.1514764 +1 4 2 1
H 1.09974751 +1 112.1527123 +1 120.1123871 +1 4 2 9
H 1.09987248 +1 111.9330526 +1 119.9616504 +1 4 2 10