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Geometry for CH3D (methane-d) 1A1 C3V

1910171554
InChI=1S/CH4/h1H4/i1D INChIKey=VNWKTOKETHGBQD-MICDWDOJSA-N

PBE1PBE/6-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0001   0.0000 -0.0001 -0.0000
H2 0.0000 0.0000 -1.0927   0.0000 1.0927 0.0004
H3 0.0000 1.0296 0.3641   1.0296 -0.3641 -0.0001
H4 -0.8917 -0.5148 0.3641   -0.5148 -0.3644 0.8915
H5 0.8917 -0.5148 0.3641   -0.5148 -0.3638 -0.8918
Atom - Atom Distances (Å)
  C1 H2 H3 H4 H5
C1 1.0927 1.0921 1.0921 1.0921
H2 1.0927 1.7839 1.7839 1.7839
H3 1.0921 1.7839 1.7834 1.7834
H4 1.0921 1.7839 1.7834 1.7834
H5 1.0921 1.7839 1.7834 1.7834
Maximum atom distance is 1.7839Å between atoms H2 and H4.
picture of methane-d
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
D2 C1 H3 109.471 D2 C1 H4 109.471
D2 C1 H5 109.471 H3 C1 H4 109.471
H3 C1 H5 109.471 H4 C1 H5 109.471

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