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Geometry for CH3SeH (Methane selenol) 1A' CS

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

wB97X-D/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0314 -0.4208 0.0000   -0.4203 -0.0378 0.0000
C2 -0.0314 1.5334 0.0000   1.5337 -0.0081 0.0000
H3 1.4277 -0.5539 0.0000   -0.5755 1.4191 0.0000
H4 -1.0759 1.8333 0.0000   1.8494 -1.0479 0.0000
H5 0.4523 1.9137 0.8937   1.9066 0.4813 0.8937
H6 0.4523 1.9137 -0.8937   1.9066 0.4813 -0.8937
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9542 1.4652 2.4843 2.5461 2.5461
C2 1.9542 2.5467 1.0867 1.0851 1.0851
H3 1.4652 2.5467 3.4593 2.7999 2.7999
H4 2.4843 1.0867 3.4593 1.7722 1.7722
H5 2.5461 1.0851 2.7999 1.7722 1.7874
H6 2.5461 1.0851 2.7999 1.7722 1.7874
Maximum atom distance is 3.4593Å 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 106.022 Se1 C2 H5 110.519
Se1 C2 H6 110.519 C2 Se1 H3 95.212
H4 C2 H5 109.376 H4 C2 H6 109.376
H5 C2 H6 110.901

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