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Geometry for CH3SeH (Methane selenol) 1A' CS

1910171554
InChI=1S/CH4Se/c1-2/h2H,1H3 INChIKey=APKHDKJWSHYLEU-UHFFFAOYSA-N

PBEPBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0317 -0.4244 0.0000   -0.4239 -0.0381 0.0000
C2 -0.0317 1.5469 0.0000   1.5472 -0.0086 0.0000
H3 1.4452 -0.5528 0.0000   -0.5743 1.4368 0.0000
H4 -1.0862 1.8430 0.0000   1.8590 -1.0585 0.0000
H5 0.4546 1.9297 0.9018   1.9227 0.4834 0.9018
H6 0.4546 1.9297 -0.9018   1.9227 0.4834 -0.9018
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9713 1.4825 2.5006 2.5674 2.5674
C2 1.9713 2.5670 1.0953 1.0937 1.0937
H3 1.4825 2.5670 3.4853 2.8209 2.8209
H4 2.5006 1.0953 3.4853 1.7874 1.7874
H5 2.5674 1.0937 2.8209 1.7874 1.8035
H6 2.5674 1.0937 2.8209 1.7874 1.8035
Maximum atom distance is 3.4853Å between atoms H3 and H4.
picture of Methane selenol
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
Se1 C2 H4 105.686 Se1 C2 H5 110.491
Se1 C2 H6 110.491 C2 Se1 H3 94.967
H4 C2 H5 109.476 H4 C2 H6 109.476
H5 C2 H6 111.072

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