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

Geometry for H2CSe (Selenoformaldehyde) 1A1 C2V

1910171554
InChI=1S/CH2Se/c1-2/h1H2 INChIKey=

B2PLYP=FULL/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.3964   -1.3964 0.0000 0.0000
Se2 0.0000 0.0000 0.3626   0.3626 0.0000 0.0000
H3 0.0000 0.9320 -1.9749   -1.9749 0.9320 0.0000
H4 0.0000 -0.9320 -1.9749   -1.9749 -0.9320 0.0000
Atom - Atom Distances (Å)
  C1 Se2 H3 H4
C1 1.7589 1.0970 1.0970
Se2 1.7589 2.5164 2.5164
H3 1.0970 2.5164 1.8640
H4 1.0970 2.5164 1.8640
Maximum atom distance is 2.5164Å between atoms Se2 and H3.
picture of Selenoformaldehyde
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
Se2 C1 H3 121.828 Se2 C1 H4 121.828
H3 C1 H4 116.344

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