PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3chsr
2068 Thioacetaldehyde (Geo)
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REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
NOINTER NOXYZ PM7
Thioacetaldehyde
<> <><> <><><> <><><> <><><> <C-S><C-C-S> GR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48317982 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10328419 +1 111.3675261 +1 0.0000000 +0 2 1 0
H 1.10320275 +1 111.3782701 +1 118.7557310 +1 2 1 3
H 1.10217560 +1 114.1287035 +1 -120.5742781 +1 2 1 3
H 1.09948401 +1 113.8250571 +1 -59.4552705 +1 1 2 3
S 1.61000000 +1 125.3000000 +1 120.5353964 +1 1 2 3