PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-chloropropaner
2346 1-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
1-Chloropropane
<> <><> <C-Cl><C-C-Cl> GR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52826297 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51442129 +1 109.7874969 +1 0.0000000 +0 2 1 0
Cl 1.79600000 +1 111.3000000 +1 179.9759951 +1 3 2 1
H 1.09631375 +1 111.7497170 +1 -60.2438549 +1 1 2 3
H 1.09631420 +1 111.7355599 +1 120.7532728 +1 1 2 5
H 1.09707644 +1 111.0171269 +1 119.6158821 +1 1 2 6
H 1.10980400 +1 110.0711327 +1 122.1708716 +1 2 1 3
H 1.10984315 +1 110.0502089 +1 115.6039537 +1 2 1 8
H 1.10209410 +1 112.6561597 +1 117.6972774 +1 3 2 4
H 1.10209220 +1 112.6325859 +1 124.3860180 +1 3 2 10