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Geometry for CH2D2 (methane-d2) 1A1 C2V

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

mPW1PW91/6-311G*


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 0.8894 0.6289   0.0000 0.6289 0.8894
H3 0.0000 -0.8894 0.6289   0.0000 0.6289 -0.8894
H4 -0.8894 0.0000 -0.6289   -0.8894 -0.6289 0.0000
H5 0.8894 0.0000 -0.6289   0.8894 -0.6289 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 H4 H5
C1 1.0893 1.0893 1.0893 1.0893
H2 1.0893 1.7788 1.7788 1.7788
H3 1.0893 1.7788 1.7788 1.7788
H4 1.0893 1.7788 1.7788 1.7788
H5 1.0893 1.7788 1.7788 1.7788
Maximum atom distance is 1.7788Å 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 109.471
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 109.471 H2 C1 D4 109.471
H2 C1 D5 109.471 H3 C1 D4 109.471
H3 C1 D5 109.471

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