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Geometry for CH2D2 (methane-d2) 1A1 C2V

1910171554
InChI=1S/CH4/h1H4/i1D2 INChIKey=VNWKTOKETHGBQD-DICFDUPASA-N

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
H2 0.0000 0.8916 0.6304   0.8916 0.6304 0.0000
H3 0.0000 -0.8916 0.6304   -0.8916 0.6304 0.0000
H4 -0.8916 0.0000 -0.6304   0.0000 -0.6304 -0.8916
H5 0.8916 0.0000 -0.6304   0.0000 -0.6304 0.8916
Atom - Atom Distances (Å)
  C1 H2 H3 H4 H5
C1 1.0919 1.0919 1.0920 1.0920
H2 1.0919 1.7831 1.7832 1.7832
H3 1.0919 1.7831 1.7832 1.7832
H4 1.0920 1.7832 1.7832 1.7832
H5 1.0920 1.7832 1.7832 1.7832
Maximum atom distance is 1.7832Å between atoms H4 and H5.
picture of methane-d2
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
D4 C1 D5 109.464
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 109.477 H2 C1 D4 109.472
H2 C1 D5 109.472 H3 C1 D4 109.472
H3 C1 D5 109.472

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