PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-chloropropaner
2348 2-Chloropropane (Geo)
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REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
2-Chloropropane
<C-Cl> <> <C-C-Cl> GR=WHSMC03
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.81200000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51323521 +1 109.0000000 +1 0.0000000 +0 2 1 0
C 1.51346928 +1 107.1620862 +1 122.0445127 +1 2 1 3
H 1.11055853 +1 104.0474943 +1 118.9773496 +1 2 1 4
H 1.09961086 +1 112.2399059 +1 61.0218761 +1 3 2 1
H 1.09844344 +1 111.2172585 +1 119.8726125 +1 3 2 6
H 1.09962326 +1 112.0825647 +1 119.8569064 +1 3 2 7
H 1.09808380 +1 111.2494551 +1 178.9378676 +1 4 2 1
H 1.09949165 +1 112.2064624 +1 119.9559533 +1 4 2 9
H 1.09963695 +1 112.0431076 +1 120.1566137 +1 4 2 10