PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-chloro-2-methylpropane
2349 1-Chloro-2-methylpropane
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ΔHf: -38.1 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
1-Chloro-2-methylpropane
H=-38.1 HR=WHSMC03
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.11954829 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53123608 +1 108.6426821 +1 0.0000000 +0 2 1 0
C 1.52580178 +1 109.7117548 +1 121.4188487 +1 2 1 3
C 1.53419170 +1 108.5929700 +1 118.5977368 +1 2 1 4
H 1.09526404 +1 111.8115580 +1 -179.6204455 +1 3 2 1
H 1.09613042 +1 111.1223373 +1 120.0384406 +1 3 2 6
H 1.09716650 +1 111.7478482 +1 119.4513096 +1 3 2 7
H 1.10131587 +1 112.6971376 +1 67.5904333 +1 4 2 1
H 1.10119579 +1 112.8655825 +1 124.5427219 +1 4 2 9
Cl 1.78543114 +1 109.2481102 +1 117.8977613 +1 4 2 10
H 1.09550802 +1 111.7090470 +1 -179.3893285 +1 5 2 1
H 1.09532309 +1 111.7273656 +1 120.9491761 +1 5 2 12
H 1.09660120 +1 110.9449587 +1 119.5459110 +1 5 2 13