PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
benzyl chloride
2358 Benzyl chloride
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ΔHf: 4.5 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
Benzyl chloride
H=4.5 HR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.78717581 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39403183 +1 60.0374673 +1 0.0000000 +0 1 2 0
C 1.39389376 +1 60.0397653 +1 179.6003375 +1 1 2 3
C 1.39260310 +1 120.0427743 +1 0.0327400 +1 3 1 2
C 1.39273611 +1 120.0406972 +1 -0.0202567 +1 4 1 2
H 1.08860505 +1 119.9505032 +1 -179.7422169 +1 1 4 2
H 1.08841374 +1 120.0046481 +1 179.8615912 +1 3 1 5
H 1.08839595 +1 120.0147800 +1 -179.8743060 +1 4 1 6
H 1.08883050 +1 120.0014870 +1 179.4580538 +1 5 3 1
H 1.08880917 +1 119.9839054 +1 -179.4868203 +1 6 4 1
C 1.48410663 +1 149.9569278 +1 178.7832429 +1 2 3 1
H 1.10314941 +1 114.0197397 +1 154.0418650 +1 12 2 5
Cl 1.78747954 +1 106.4234830 +1 117.0685772 +1 12 2 13
H 1.10322236 +1 113.9854274 +1 117.0725847 +1 12 2 14