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Geometry for CH3SeH (Methane selenol) 1A' CS

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

CCSD/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0312 -0.4201 0.0000   -0.4204 -0.0265 0.0000
C2 -0.0312 1.5300 0.0000   1.5296 -0.0484 0.0000
H3 1.4192 -0.5474 0.0000   -0.5314 1.4253 0.0000
H4 -1.0757 1.8293 0.0000   1.8171 -1.0962 0.0000
H5 0.4525 1.9104 0.8935   1.9154 0.4310 0.8935
H6 0.4525 1.9104 -0.8935   1.9154 0.4310 -0.8935
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9501 1.4560 2.4800 2.5423 2.5423
C2 1.9501 2.5337 1.0865 1.0849 1.0849
H3 1.4560 2.5337 3.4458 2.7881 2.7881
H4 2.4800 1.0865 3.4458 1.7721 1.7721
H5 2.5423 1.0849 2.7881 1.7721 1.7869
H6 2.5423 1.0849 2.7881 1.7721 1.7869
Maximum atom distance is 3.4458Å 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 105.986 Se1 C2 H5 110.524
Se1 C2 H6 110.524 C2 Se1 H3 95.015
H4 C2 H5 109.397 H4 C2 H6 109.397
H5 C2 H6 110.885

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