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Geometry for CH3SeH (Methane selenol) 1A' CS

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

B3PW91/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0315 -0.4213 0.0000   -0.4217 -0.0267 0.0000
C2 -0.0315 1.5361 0.0000   1.5356 -0.0490 0.0000
H3 1.4318 -0.5587 0.0000   -0.5424 1.4380 0.0000
H4 -1.0778 1.8343 0.0000   1.8219 -1.0986 0.0000
H5 0.4525 1.9166 0.8951   1.9216 0.4306 0.8951
H6 0.4525 1.9166 -0.8951   1.9216 0.4306 -0.8951
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9574 1.4697 2.4865 2.5498 2.5498
C2 1.9574 2.5553 1.0880 1.0864 1.0864
H3 1.4697 2.5553 3.4676 2.8085 2.8085
H4 2.4865 1.0880 3.4676 1.7748 1.7748
H5 2.5498 1.0864 2.8085 1.7748 1.7902
H6 2.5498 1.0864 2.8085 1.7748 1.7902
Maximum atom distance is 3.4676Å 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 105.909 Se1 C2 H5 110.503
Se1 C2 H6 110.503 C2 Se1 H3 95.365
H4 C2 H5 109.417 H4 C2 H6 109.417
H5 C2 H6 110.957

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