return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
Molecule problem. Defaulted to H2CO
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for () 1A1 C2V

1910171554
InChI=1S/CH2O/c1-2/h1H2 INChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N

HF_cp/6-311+G(3df,2pd)


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.6607
C2 0.0000 0.0000 -0.5162
H3 0.0000 0.9272 -1.0942
H4 0.0000 -0.9272 -1.0942
Atom - Atom Distances (Å)
  O1 C2 H3 H4
O1 1.1769 1.9848 1.9848
C2 1.1769 1.0926 1.0926
H3 1.9848 1.0926 1.8544
H4 1.9848 1.0926 1.8544
Maximum atom distance is 1.9848Å between atoms O1 and H3.
picture of
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.