PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-chloropropane
2345 1-Chloropropane
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ΔHf: -31.6 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
1-Chloropropane
H=-31.6 HR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52863822 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51845320 +1 109.8275379 +1 0.0000000 +0 2 1 0
Cl 1.78496818 +1 108.7977541 +1 179.9264167 +1 3 2 1
H 1.09615296 +1 111.7651584 +1 -60.2300282 +1 1 2 3
H 1.09614386 +1 111.7556971 +1 120.7719997 +1 1 2 5
H 1.09709478 +1 111.0155126 +1 119.6030684 +1 1 2 6
H 1.10965377 +1 109.9565363 +1 122.2603291 +1 2 1 3
H 1.10961909 +1 109.9754572 +1 115.5516224 +1 2 1 8
H 1.10158512 +1 112.8718400 +1 117.6813530 +1 3 2 4
H 1.10179704 +1 112.7943564 +1 124.6077390 +1 3 2 10