<
return to home page Computational Chemistry Comparison and Benchmark DataBase Release 20 (August 2019) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Comparisons > Geometry > Bonds, angles > Core correlation - bond length

Bond Length differences between FROZEN core and FULL (all electrons correlated)

17 10 27 14 53
Choose the bonds for CH2NOH (formaldoxime)
Species Name Level
CH2NOH formaldoxime HF/6-31G*
Select two atoms.
Reload or Refresh the page to clear the atom selection.
ch2noh.gif
atom number atom type x (Å) y (Å) z (Å) Atom1 Atom2 atom number
1 C 1.1218 -0.0274 0.0000 1
2 N 0.0000 0.5221 0.0000 2
3 O -1.0189 -0.3921 0.0000 3
4 H 1.2432 -1.0981 0.0000 4
5 H 1.9840 0.6120 0.0000 5
6 H -1.8072 0.1323 0.0000 6