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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

MP2/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4788   0.0000 0.4788 0.0000
C2 0.0000 1.4446 -0.8265   1.4446 -0.8265 0.0000
C3 0.0000 -1.4446 -0.8265   -1.4446 -0.8265 0.0000
H4 0.0000 2.3937 -0.2683   2.3937 -0.2683 0.0000
H5 0.0000 -2.3937 -0.2683   -2.3937 -0.2683 0.0000
H6 0.9024 1.3970 -1.4560   1.3970 -1.4560 0.9024
H7 -0.9024 1.3970 -1.4560   1.3970 -1.4560 -0.9024
H8 -0.9024 -1.3970 -1.4560   -1.3970 -1.4560 -0.9024
H9 0.9024 -1.3970 -1.4560   -1.3970 -1.4560 0.9024
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9470 1.9470 2.5076 2.5076 2.5514 2.5514 2.5514 2.5514
C2 1.9470 2.8892 1.1011 3.8787 1.1013 1.1013 3.0472 3.0472
C3 1.9470 2.8892 3.8787 1.1011 3.0472 3.0472 1.1013 1.1013
H4 2.5076 1.1011 3.8787 4.7874 1.7941 1.7941 4.0736 4.0736
H5 2.5076 3.8787 1.1011 4.7874 4.0736 4.0736 1.7941 1.7941
H6 2.5514 1.1013 3.0472 1.7941 4.0736 1.8048 3.3261 2.7939
H7 2.5514 1.1013 3.0472 1.7941 4.0736 1.8048 2.7939 3.3261
H8 2.5514 3.0472 1.1013 4.0736 1.7941 3.3261 2.7939 1.8048
H9 2.5514 3.0472 1.1013 4.0736 1.7941 2.7939 3.3261 1.8048
Maximum atom distance is 4.7874Å 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 95.801
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.437 Se1 C2 H6 110.556
Se1 C2 H7 110.556 Se1 C3 H5 107.437
Se1 C3 H8 110.556 Se1 C3 H9 110.556
H4 C2 H6 109.093 H4 C2 H7 109.093
H5 C3 H8 109.093 H5 C3 H9 109.093
H6 C2 H7 110.044 H8 C3 H9 110.044

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