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Geometry for CH3SeH (Methane selenol) 1A' CS

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

MP2/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0314 -0.4228 0.0000   -0.4223 -0.0377 0.0000
C2 -0.0314 1.5392 0.0000   1.5395 -0.0084 0.0000
H3 1.4292 -0.5522 0.0000   -0.5735 1.4208 0.0000
H4 -1.0876 1.8425 0.0000   1.8585 -1.0599 0.0000
H5 0.4567 1.9245 0.9039   1.9174 0.4854 0.9039
H6 0.4567 1.9245 -0.9039   1.9174 0.4854 -0.9039
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9620 1.4663 2.4994 2.5622 2.5622
C2 1.9620 2.5510 1.0989 1.0971 1.0971
H3 1.4663 2.5510 3.4740 2.8101 2.8101
H4 2.4994 1.0989 3.4740 1.7912 1.7912
H5 2.5622 1.0971 2.8101 1.7912 1.8077
H6 2.5622 1.0971 2.8101 1.7912 1.8077
Maximum atom distance is 3.4740Å 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 106.021 Se1 C2 H5 110.558
Se1 C2 H6 110.558 C2 Se1 H3 95.063
H4 C2 H5 109.309 H4 C2 H6 109.309
H5 C2 H6 110.951

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