PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tetraethyltin
5506 Tetraethyltin
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ΔHf: -10.9 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.: 8.9 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PULAY PM7
Tetraethyltin
H=-10.9 HR=WEPS1982 I=8.9 IR=LLNBS82
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52517745 +1 0.0000000 +0 0.0000000 +0 1 0 0
Sn 2.16036391 +1 116.4775384 +1 0.0000000 +0 2 1 0
C 2.16036391 +0 109.4637925 +1 -176.9993802 +1 3 2 1
C 1.52517745 +0 116.4775384 +0 59.6173953 +1 4 3 2
C 2.16036391 +0 109.4637925 +0 63.6803789 +1 3 2 1
C 1.52517745 +0 116.4775384 +0 62.9458934 +1 6 3 2
C 2.16036391 +0 109.4637925 +0 -177.7621735 +1 3 6 7
C 1.52517745 +0 116.4775384 +0 59.2874992 +1 8 3 6
H 1.09669188 +1 111.7726987 +1 179.2921896 +1 5 4 3
H 1.09669188 +0 111.7726987 +0 59.9208455 +1 5 4 3
H 1.09669188 +0 111.7726987 +0 -61.2917537 +1 5 4 3
H 1.10102247 +1 107.4579682 +1 -63.7965626 +1 4 3 2
H 1.10102247 +0 107.4579682 +0 -177.1211168 +1 4 3 2
H 1.10102247 +0 107.4579682 +0 59.7810365 +1 2 3 4
H 1.10102247 +0 107.4579682 +0 -53.5585977 +1 2 3 4
H 1.09669188 +0 111.7726987 +0 -179.0918692 +1 1 2 3
H 1.09669188 +0 111.7726987 +0 61.4876077 +1 1 2 3
H 1.09669188 +0 111.7726987 +0 -59.7336749 +1 1 2 3
H 1.09669188 +0 111.7726987 +0 -179.1968173 +1 7 6 3
H 1.09669188 +0 111.7726987 +0 61.3761963 +1 7 6 3
H 1.09669188 +0 111.7726987 +0 -59.8377277 +1 7 6 3
H 1.10102247 +0 107.4579682 +0 59.0282841 +1 6 3 8
H 1.10102247 +0 107.4579682 +0 -54.3137426 +1 6 3 8
H 1.09669188 +0 111.7726987 +0 179.1447362 +1 9 8 3
H 1.09669188 +0 111.7726987 +0 59.7835660 +1 9 8 3
H 1.09669188 +0 111.7726987 +0 -61.4350887 +1 9 8 3
H 1.10102247 +0 107.4579682 +0 -64.1390900 +1 8 3 6
H 1.10102247 +0 107.4579682 +0 -177.4581361 +1 8 3 6