PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c2h3s
2067 C2H3S
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ΔHf: 53.0 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
C2H3S
H=53 HR=WHSMC03
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.69583939 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.35494495 +1 122.2876360 +1 0.0000000 +0 2 1 0
H 1.09498972 +1 117.4430850 +1 -179.9995486 +1 2 1 3
H 1.08201531 +1 124.3193136 +1 0.0000162 +1 3 2 1
H 1.08149346 +1 122.7174744 +1 -179.9997142 +1 3 2 5