PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
vinylsilane
1882 Vinylsilane
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ΔHf: -1.9 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).
Dipole: 0.7 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.4 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.
PM7
Vinylsilane
H=-1.9 D=0.66 HR=WEPS1982 DR=NLM1967 I=10.4 IR=LLNBS82
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Si 1.45486760 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.82287206 +1 109.8772241 +1 0.0000000 +0 2 1 0
C 1.33297455 +1 124.8933115 +1 -179.7908069 +1 3 2 1
H 1.10383216 +1 115.7861724 +1 0.2146424 +1 3 2 1
H 1.08363280 +1 126.7104936 +1 0.0077003 +1 4 3 2
H 1.08608902 +1 122.5568650 +1 -179.9938995 +1 4 3 2
H 1.45462508 +1 110.0221018 +1 60.3795470 +1 2 3 4
H 1.45460093 +1 110.0240651 +1 -59.9776506 +1 2 3 4