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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

HF/SDD


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4766   0.0000 0.4766 0.0000
C2 0.0000 1.4899 -0.8267   1.4899 -0.8267 0.0000
C3 0.0000 -1.4899 -0.8267   -1.4899 -0.8267 0.0000
H4 0.0000 2.4086 -0.2590   2.4086 -0.2590 0.0000
H5 0.0000 -2.4086 -0.2590   -2.4086 -0.2590 0.0000
H6 0.8861 1.4432 -1.4414   1.4432 -1.4414 0.8861
H7 -0.8861 1.4432 -1.4414   1.4432 -1.4414 -0.8861
H8 -0.8861 -1.4432 -1.4414   -1.4432 -1.4414 -0.8861
H9 0.8861 -1.4432 -1.4414   -1.4432 -1.4414 0.8861
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9795 1.9795 2.5184 2.5184 2.5587 2.5587 2.5587 2.5587
C2 1.9795 2.9798 1.0800 3.9396 1.0795 1.0795 3.1251 3.1251
C3 1.9795 2.9798 3.9396 1.0800 3.1251 3.1251 1.0795 1.0795
H4 2.5184 1.0800 3.9396 4.8173 1.7650 1.7650 4.1255 4.1255
H5 2.5184 3.9396 1.0800 4.8173 4.1255 4.1255 1.7650 1.7650
H6 2.5587 1.0795 3.1251 1.7650 4.1255 1.7723 3.3871 2.8864
H7 2.5587 1.0795 3.1251 1.7650 4.1255 1.7723 2.8864 3.3871
H8 2.5587 3.1251 1.0795 4.1255 1.7650 3.3871 2.8864 1.7723
H9 2.5587 3.1251 1.0795 4.1255 1.7650 2.8864 3.3871 1.7723
Maximum atom distance is 4.8173Å 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 97.644
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.108 Se1 C2 H6 110.021
Se1 C2 H7 110.021 Se1 C3 H5 107.108
Se1 C3 H8 110.021 Se1 C3 H9 110.021
H4 C2 H6 109.640 H4 C2 H7 109.640
H5 C3 H8 109.640 H5 C3 H9 109.640
H6 C2 H7 110.351 H8 C3 H9 110.351

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