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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

QCISD/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4752   0.4752 0.0000 0.0000
C2 0.0000 1.4441 -0.8219   -0.8219 0.0000 1.4441
C3 0.0000 -1.4441 -0.8219   -0.8219 0.0000 -1.4441
H4 0.0000 2.3794 -0.2662   -0.2662 0.0000 2.3794
H5 0.0000 -2.3794 -0.2662   -0.2662 0.0000 -2.3794
H6 0.8936 1.3907 -1.4401   -1.4401 0.8936 1.3907
H7 -0.8936 1.3907 -1.4401   -1.4401 -0.8936 1.3907
H8 -0.8936 -1.3907 -1.4401   -1.4401 -0.8936 -1.3907
H9 0.8936 -1.3907 -1.4401   -1.4401 0.8936 -1.3907
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9411 1.9411 2.4922 2.4922 2.5300 2.5300 2.5300 2.5300
C2 1.9411 2.8881 1.0880 3.8636 1.0879 1.0879 3.0359 3.0359
C3 1.9411 2.8881 3.8636 1.0880 3.0359 3.0359 1.0879 1.0879
H4 2.4922 1.0880 3.8636 4.7588 1.7760 1.7760 4.0485 4.0485
H5 2.4922 3.8636 1.0880 4.7588 4.0485 4.0485 1.7760 1.7760
H6 2.5300 1.0879 3.0359 1.7760 4.0485 1.7873 3.3061 2.7814
H7 2.5300 1.0879 3.0359 1.7760 4.0485 1.7873 2.7814 3.3061
H8 2.5300 3.0359 1.0879 4.0485 1.7760 3.3061 2.7814 1.7873
H9 2.5300 3.0359 1.0879 4.0485 1.7760 2.7814 3.3061 1.7873
Maximum atom distance is 4.7588Å 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 96.138
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.351 Se1 C2 H6 110.073
Se1 C2 H7 110.073 Se1 C3 H5 107.351
Se1 C3 H8 110.073 Se1 C3 H9 110.073
H4 C2 H6 109.418 H4 C2 H7 109.418
H5 C3 H8 109.418 H5 C3 H9 109.418
H6 C2 H7 110.450 H8 C3 H9 110.450

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