PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-chloropentane
2352 1-Chloropentane
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ΔHf: -41.8 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
1-Chloropentane
H=-41.8 HR=WHSMC03
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.78554916 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51789282 +1 108.5250807 +1 0.0000000 +0 2 1 0
C 1.53439903 +1 109.9425913 +1 -179.9983715 +1 3 2 1
C 1.53470487 +1 110.5421161 +1 -179.9303831 +1 4 3 2
C 1.52817335 +1 110.7745491 +1 -179.9778378 +1 5 4 3
H 1.10110644 +1 106.1863926 +1 121.6883815 +1 2 1 3
H 1.10115960 +1 106.1727099 +1 116.6374213 +1 2 1 7
H 1.10944250 +1 110.7861601 +1 121.8332259 +1 3 2 4
H 1.10968261 +1 110.7516384 +1 116.4300041 +1 3 2 9
H 1.10636260 +1 110.2755381 +1 121.7416160 +1 4 3 5
H 1.10645552 +1 110.2602466 +1 116.6036022 +1 4 3 11
H 1.10666032 +1 110.0528686 +1 121.9103755 +1 5 4 6
H 1.10677640 +1 110.0569262 +1 116.2412800 +1 5 4 13
H 1.09570770 +1 111.5360829 +1 -60.0393301 +1 6 5 4
H 1.09572040 +1 111.5236909 +1 120.2836899 +1 6 5 15
H 1.09603124 +1 111.1947980 +1 119.8500342 +1 6 5 16