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

MP2_cp/aug-cc-pVTZ


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.6787
C2 0.0000 0.0000 -0.5342
H3 0.0000 0.9360 -1.1124
H4 0.0000 -0.9360 -1.1124
Atom - Atom Distances (Å)
  O1 C2 H3 H4
O1 1.2129 2.0209 2.0209
C2 1.2129 1.1002 1.1002
H3 2.0209 1.1002 1.8719
H4 2.0209 1.1002 1.8719
Maximum atom distance is 2.0209Å 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.