PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tetramethyllead
8081 Tetramethyllead
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ΔHf: 32.5 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: J. K. Kochi, "Organometallic Mechanisms and Catalysis"; Academic Press: New York, 1978, p 454.
PM7
Tetramethyllead
H=32.5 HR=WEPS1982 I=8.9 IR=K1978
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Pb 2.12315179 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.12316040 +1 109.4716561 +1 0.0000000 +0 2 1 0
H 1.08453250 +1 108.5013619 +1 175.7713557 +1 3 2 1
C 2.12320816 +1 109.4711079 +1 55.7941448 +1 2 3 4
C 2.12304787 +1 109.4884027 +1 -64.2075371 +1 2 3 4
H 1.08452794 +1 108.4910910 +1 55.7513478 +1 3 2 1
H 1.08458988 +1 108.4872901 +1 -64.2431204 +1 3 2 1
H 1.08455032 +1 108.4879497 +1 -176.8999369 +1 1 2 3
H 1.08454503 +1 108.4970442 +1 63.1090656 +1 1 2 3
H 1.08454299 +1 108.5007861 +1 -56.8987255 +1 1 2 3
H 1.08457826 +1 108.4801652 +1 -178.1284576 +1 5 2 6
H 1.08452126 +1 108.5032223 +1 61.8705117 +1 5 2 6
H 1.08451105 +1 108.4958970 +1 -58.1339612 +1 5 2 6
H 1.08452057 +1 108.5128662 +1 178.4392450 +1 6 2 5
H 1.08455448 +1 108.4952034 +1 58.4346207 +1 6 2 5
H 1.08458625 +1 108.4877984 +1 -61.5563123 +1 6 2 5