Bond length hydrogen fluoride

The experimental bond length for the hydrogen fluoride molecule is 0.917A. Determine the basis set required to predict this structure accurately. Perform your optimizations at the MP4 level of theory (electron correlation is known to be important for this system). 

Eormula HE MW 20.006. A very stable polar covalent diatomic molecule H—E bond energy 136.1 kcaPmol at lower temperatures molecules are associated by hydrogen bonding H—bond length 0.92A partial ionic character 40% dipole moment 6.10 D hydrofluoric acid is an aqueous solution of hydrogen fluoride gas. 

Figure 8.18. Optimized parameters for stationary points on water dimer and hydrogen fluoride dimer PES. Bond lengths are in angstroms and bond angles are in degrees. (From Smith et al. [1990].)...

Incorporation of alpha bonds directly into the nomenclature allows various isomorphisms to be more accurately described. For example [14], hydrogen fluoride in the solid (and probably in the liquid) state consists of a long (unspecified length) chain of hydrogen bonded H-F molecules in a zig-zag (/HFH = 120.1°) chain. This would be nomenclated as ... 

Hydrogen fluoride swells collagen, but probably does not break the peptide bonds. N-carboxy anhydrides are polymerized in hydrogen fluoride to give poly-a-amino acids i with chain length of about 30 units. 

Figure 2 shows the behavior of for various levels of theory as a function of the bond length in hydrogen fluoride. For SCF, MPn, Cl, and CCD methods, S rises rapidly as the bond is stretched beyond the RHF -+ UHF instability (near 1.3 A). For QCISD and CCSD, 5 increases more slowly, indicating they are better able to handle modest levels of... 

Figure 2 Values of S as a function of bond length for the dissociation of hydrogen fluoride, computed at various levels of theory with the 6-3IG basis set (reproduced with permission from Ref. 4)...

Suggest a value for the bond length in hydrogen fluoride, HF. 

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