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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

CCSD=FULL/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 0.4751   0.4751 0.0000 0.0000
C2 0.0000 1.4310 -0.8214   -0.8214 0.0000 1.4310
C3 0.0000 -1.4310 -0.8214   -0.8214 0.0000 -1.4310
H4 0.0000 2.3681 -0.2748   -0.2748 0.0000 2.3681
H5 0.0000 -2.3681 -0.2748   -0.2748 0.0000 -2.3681
H6 0.8915 1.3722 -1.4363   -1.4363 0.8915 1.3722
H7 -0.8915 1.3722 -1.4363   -1.4363 -0.8915 1.3722
H8 -0.8915 -1.3722 -1.4363   -1.4363 -0.8915 -1.3722
H9 0.8915 -1.3722 -1.4363   -1.4363 0.8915 -1.3722
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9309 1.9309 2.4840 2.4840 2.5162 2.5162 2.5162 2.5162
C2 1.9309 2.8619 1.0849 3.8382 1.0846 1.0846 3.0051 3.0051
C3 1.9309 2.8619 3.8382 1.0849 3.0051 3.0051 1.0846 1.0846
H4 2.4840 1.0849 3.8382 4.7361 1.7708 1.7708 4.0167 4.0167
H5 2.4840 3.8382 1.0849 4.7361 4.0167 4.0167 1.7708 1.7708
H6 2.5162 1.0846 3.0051 1.7708 4.0167 1.7831 3.2728 2.7445
H7 2.5162 1.0846 3.0051 1.7708 4.0167 1.7831 2.7445 3.2728
H8 2.5162 3.0051 1.0846 4.0167 1.7708 3.2728 2.7445 1.7831
H9 2.5162 3.0051 1.0846 4.0167 1.7708 2.7445 3.2728 1.7831
Maximum atom distance is 4.7361Å 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 95.646
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.566 Se1 C2 H6 109.908
Se1 C2 H7 109.908 Se1 C3 H5 107.566
Se1 C3 H8 109.908 Se1 C3 H9 109.908
H4 C2 H6 109.417 H4 C2 H7 109.417
H5 C3 H8 109.417 H5 C3 H9 109.417
H6 C2 H7 110.569 H8 C3 H9 110.569

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