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Geometry for CH3SeH (Methane selenol) 1A' CS

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

BLYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0324 -0.4314 0.0000   -0.4317 -0.0277 0.0000
C2 -0.0324 1.5710 0.0000   1.5706 -0.0492 0.0000
H3 1.4628 -0.5298 0.0000   -0.5140 1.4684 0.0000
H4 -1.0893 1.8741 0.0000   1.8623 -1.1094 0.0000
H5 0.4605 1.9483 0.9054   1.9531 0.4396 0.9054
H6 0.4605 1.9483 -0.9054   1.9531 0.4396 -0.9054
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 2.0024 1.4984 2.5362 2.5934 2.5934
C2 2.0024 2.5785 1.0996 1.0977 1.0977
H3 1.4984 2.5785 3.5060 2.8222 2.8222
H4 2.5362 1.0996 3.5060 1.7965 1.7965
H5 2.5934 1.0977 2.8222 1.7965 1.8108
H6 2.5934 1.0977 2.8222 1.7965 1.8108
Maximum atom distance is 3.5060Å 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 106.000 Se1 C2 H5 110.100
Se1 C2 H6 110.100 C2 Se1 H3 93.764
H4 C2 H5 109.687 H4 C2 H6 109.687
H5 C2 H6 111.136

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