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Geometry for CH3SeH (Methane selenol) 1A' CS

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

G3B3
This model chemistry uses a geometry from B3LYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0320 -0.4244 0.0000   -0.4247 -0.0272 0.0000
C2 -0.0320 1.5472 0.0000   1.5468 -0.0493 0.0000
H3 1.4514 -0.5521 0.0000   -0.5358 1.4575 0.0000
H4 -1.0814 1.8478 0.0000   1.8356 -1.1020 0.0000
H5 0.4544 1.9248 0.8995   1.9297 0.4328 0.8995
H6 0.4544 1.9248 -0.8995   1.9297 0.4328 -0.8995
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9716 1.4889 2.5029 2.5621 2.5621
C2 1.9716 2.5706 1.0917 1.0901 1.0901
H3 1.4889 2.5706 3.4893 2.8175 2.8175
H4 2.5029 1.0917 3.4893 1.7815 1.7815
H5 2.5621 1.0901 2.8175 1.7815 1.7991
H6 2.5621 1.0901 2.8175 1.7815 1.7991
Maximum atom distance is 3.4893Å 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 105.947 Se1 C2 H5 110.789
Se1 C2 H6 110.789 C2 Se1 H3 94.960
H4 C2 H5 109.204 H4 C2 H6 109.204
H5 C2 H6 110.771

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