PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
benzoyl iodide
5849 Benzoyl iodide
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ΔHf: 2.5 kcal/mol, REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
PM7
Benzoyl iodide
H=2.52 HR=CATCH
C 0.05138405 +1 0.07271613 +1 0.06701425 +1
C 2.79609522 +1 -0.13680545 +1 -0.28305543 +1
C 0.77998051 +1 1.17208881 +1 -0.38635475 +1
C 0.69733788 +1 -1.13161371 +1 0.34403944 +1
C 2.15843810 +1 1.07276032 +1 -0.55940852 +1
C 2.07462254 +1 -1.24303353 +1 0.16630444 +1
H -1.02716389 +1 0.15560092 +1 0.20523136 +1
H 0.27068980 +1 2.10990858 +1 -0.60401519 +1
H 0.12470358 +1 -1.98788512 +1 0.69866558 +1
H 2.72990503 +1 1.93307618 +1 -0.90977677 +1
H 2.58154168 +1 -2.18550485 +1 0.37491001 +1
C 4.24724516 +1 -0.26120558 +1 -0.47196013 +1
O 4.82321721 +1 -0.77485128 +1 -1.37507652 +1
I 5.40166993 +1 0.62548240 +1 1.18441828 +1