PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
z-1-iodo-1-propene
5826 Z-1-Iodo-1-propene
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ΔHf: 20.7 kcal/mol, REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
PM7
Z-1-Iodo-1-propene
HR=CATCH H=20.66
C -0.00739339 +1 0.00297582 +1 -0.00000067 +1
C 1.32427097 +1 0.01672868 +1 0.00006696 +1
C 2.23676268 +1 1.18762460 +1 0.00003082 +1
H 1.73556930 +1 2.16412091 +1 0.00027111 +1
H 2.89181076 +1 1.17452560 +1 -0.88650751 +1
H 2.89237442 +1 1.17431726 +1 0.88616648 +1
H 1.85713875 +1 -0.94569440 +1 0.00005797 +1
H -0.60163510 +1 -0.90278456 +1 -0.00004419 +1
I -1.24476416 +1 1.70188279 +1 -0.00002487 +1