PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tin tetrabromide
5602 Tin tetrabromide
(Previous)
(Back)
(Next)
ΔHf: -75.2 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
I.P.: 11.0 eV, REF: J. C. Green, M. L. H. Green, P. J. Joachim, A. F. Orchard, D. W. Turner, Philos. Trans. R. Soc. London, Ser. A, 111, A268 (1970).
PM7
Tin tetrabromide
H=-75.2 HR=WEPS1982 I=11.0 IR=GGJO1970
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.38116231 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.38117763 +1 109.4712210 +0 0.0000000 +0 2 1 0
Br 2.38113559 +1 109.4712210 +0 -120.0000000 +0 2 1 3
Br 2.38117098 +1 109.4712210 +0 120.0000000 +0 2 1 3