PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c6h5scl
2464 C6H5SCl
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ΔHf: 25.3 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
C6H5SCl
HR=WHSMC03 H=25.3
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.76183647 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39513206 +1 119.7517541 +1 0.0000000 +0 2 1 0
C 1.39365692 +1 119.5392939 +1 -178.1077214 +1 3 2 1
C 1.39444830 +1 120.0241252 +1 -0.3309871 +1 4 3 2
C 1.39428603 +1 120.1934507 +1 -0.0595446 +1 5 4 3
C 1.39492233 +1 119.5676380 +1 -178.8299175 +1 2 1 3
H 1.09262650 +1 121.0589141 +1 -179.8828105 +1 3 2 4
H 1.08888225 +1 119.9483150 +1 -179.7993739 +1 4 3 5
H 1.09017518 +1 119.9101219 +1 -179.8261671 +1 5 4 6
H 1.08891204 +1 120.0271029 +1 -179.7006250 +1 6 5 4
H 1.09250328 +1 121.1121477 +1 -2.3238822 +1 7 2 1
Cl 2.03998460 +1 99.7623367 +1 -87.2916273 +1 1 2 3