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 CH4 (Methane) 1A1 TD

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

CCD/TZVP


Point group is Td
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 0.6284 0.6284 0.6284   0.1096 0.6449 0.8700
H3 -0.6284 -0.6284 0.6284   -0.7224 0.4371 -0.6870
H4 -0.6284 0.6284 -0.6284   0.9614 -0.1009 -0.5003
H5 0.6284 -0.6284 -0.6284   -0.3486 -0.9811 0.3172
Atom - Atom Distances (Å)
  C1 H2 H3 H4 H5
C1 1.0885 1.0885 1.0885 1.0885
H2 1.0885 1.7775 1.7775 1.7775
H3 1.0885 1.7775 1.7775 1.7775
H4 1.0885 1.7775 1.7775 1.7775
H5 1.0885 1.7775 1.7775 1.7775
Maximum atom distance is 1.7775Å between atoms H2 and H3.
picture of Methane
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
H2 C1 H3 109.471 H2 C1 H4 109.471
H2 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.