PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
acetyl iodide
5845 Acetyl iodide
(Previous)
(Back)
(Next)
ΔHf: -30.2 kcal/mol, REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
PULAY PM7
Acetyl iodide
H=-30.2 HR=CATCH
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48249497 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10341104 +1 112.5942418 +1 0.0000000 +0 2 1 0
H 1.10554077 +1 110.9605426 +1 119.7787999 +1 2 1 3
H 1.10364225 +1 112.3536752 +1 -120.6052018 +1 2 1 3
O 1.18830375 +1 126.7713977 +1 -120.9152378 +1 1 2 3
I 2.20622031 +1 114.3132120 +1 59.1816627 +1 1 2 3