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return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Bond Length differences between FROZEN core and FULL (all electrons correlated)

17 10 27 14 53
Choose the bonds for AsH3 (Arsine)
Species Name Level
AsH3 Arsine HF/6-31G*
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ash3.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 As 0.0000 0.0000 0.0691 1
2 H 0.0000 1.2774 -0.7606 2
3 H 1.1062 -0.6387 -0.7606 3
4 H -1.1062 -0.6387 -0.7606 4