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Geometry for CH2D2 (methane-d2) 1A1 C2V

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

wB97X-D/6-31G*


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 0.8817 0.6234   0.0000 0.6234 0.8817
H3 0.0000 -0.8817 0.6234   0.0000 0.6234 -0.8817
H4 -0.8817 0.0000 -0.6236   -0.8817 -0.6236 0.0000
H5 0.8817 0.0000 -0.6236   0.8817 -0.6236 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 H4 H5
C1 1.0798 1.0798 1.0800 1.0800
H2 1.0798 1.7633 1.7635 1.7635
H3 1.0798 1.7633 1.7635 1.7635
H4 1.0800 1.7635 1.7635 1.7635
H5 1.0800 1.7635 1.7635 1.7635
Maximum atom distance is 1.7635Å 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 109.462
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 109.474 H2 C1 D4 109.473
H2 C1 D5 109.473 H3 C1 D4 109.473
H3 C1 D5 109.473

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