PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-chlorophenol
2380 3-Chlorophenol
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ΔHf: -36.6 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
3-Chlorophenol
H=-36.6 HR=WHSMC03
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.08510111 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.38919628 +1 121.8048014 +1 0.0000000 +0 2 1 0
C 1.38666210 +1 123.2341882 +1 -179.9994857 +1 3 2 1
C 1.39941783 +1 118.4480802 +1 -0.0102376 +1 4 3 2
C 1.38845474 +1 120.7300130 +1 0.0098588 +1 5 4 3
C 1.39677434 +1 121.6038973 +1 -179.9821007 +1 2 1 3
O 1.35436712 +1 122.4449539 +1 -0.0323746 +1 7 2 1
Cl 1.71143312 +1 118.0700897 +1 179.9943653 +1 3 2 4
H 1.08812262 +1 121.3654900 +1 179.9934607 +1 4 3 5
H 1.09117656 +1 119.4802583 +1 -179.9897230 +1 5 4 6
H 1.08784069 +1 121.7334877 +1 -179.9883212 +1 6 5 4
H 0.98925326 +1 112.5001849 +1 -0.0093309 +1 8 7 2