PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,3-dithiolan-2-one
2266 1,3-Dithiolan-2-one
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ΔHf: -30.1 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
1,3-Dithiolan-2-one
HR=WHSMC03 H=-30.1
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.81900100 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.83598607 +1 97.1669961 +1 0.0000000 +0 2 1 0
C 1.51647030 +1 110.9404413 +1 -27.6491885 +1 3 2 1
S 1.81965076 +1 112.7312956 +1 8.9114082 +1 1 2 3
O 1.18564131 +1 123.6965014 +1 179.9391517 +1 1 2 5
H 1.10909242 +1 109.0483872 +1 123.3736375 +1 3 2 4
H 1.10900439 +1 107.9152760 +1 114.6747916 +1 3 2 7
H 1.10901525 +1 111.1580582 +1 157.1020980 +1 4 3 2
H 1.10929900 +1 111.6762999 +1 117.9481276 +1 4 3 9