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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

1910171554
InChI=1S/C2H6Se/c1-3-2/h1-2H3 INChIKey=RVIXKDRPFPUUOO-UHFFFAOYSA-N

mPW1PW91/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4717   0.0000 0.4717 0.0000
C2 0.0000 1.4617 -0.8171   1.4617 -0.8171 0.0000
C3 0.0000 -1.4617 -0.8171   -1.4617 -0.8171 0.0000
H4 0.0000 2.3877 -0.2439   2.3877 -0.2439 0.0000
H5 0.0000 -2.3877 -0.2439   -2.3877 -0.2439 0.0000
H6 0.8948 1.4221 -1.4365   1.4221 -1.4365 0.8948
H7 -0.8948 1.4221 -1.4365   1.4221 -1.4365 -0.8948
H8 -0.8948 -1.4221 -1.4365   -1.4221 -1.4365 -0.8948
H9 0.8948 -1.4221 -1.4365   -1.4221 -1.4365 0.8948
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9488 1.9488 2.4927 2.4927 2.5425 2.5425 2.5425 2.5425
C2 1.9488 2.9233 1.0891 3.8918 1.0890 1.0890 3.0822 3.0822
C3 1.9488 2.9233 3.8918 1.0891 3.0822 3.0822 1.0890 1.0890
H4 2.4927 1.0891 3.8918 4.7754 1.7764 1.7764 4.0911 4.0911
H5 2.4927 3.8918 1.0891 4.7754 4.0911 4.0911 1.7764 1.7764
H6 2.5425 1.0890 3.0822 1.7764 4.0911 1.7897 3.3603 2.8441
H7 2.5425 1.0890 3.0822 1.7764 4.0911 1.7897 2.8441 3.3603
H8 2.5425 3.0822 1.0890 4.0911 1.7764 3.3603 2.8441 1.7897
H9 2.5425 3.0822 1.0890 4.0911 1.7764 2.8441 3.3603 1.7897
Maximum atom distance is 4.7754Å between atoms H4 and H5.
picture of dimethylselenide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Se1 C3 97.189
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 106.838 Se1 C2 H6 110.419
Se1 C2 H7 110.419 Se1 C3 H5 106.838
Se1 C3 H8 110.419 Se1 C3 H9 110.419
H4 C2 H6 109.285 H4 C2 H7 109.285
H5 C3 H8 109.285 H5 C3 H9 109.285
H6 C2 H7 110.511 H8 C3 H9 110.511

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