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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

BLYP/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4808   0.0000 0.4808 0.0000
C2 0.0000 1.4902 -0.8334   1.4902 -0.8334 0.0000
C3 0.0000 -1.4902 -0.8334   -1.4902 -0.8334 0.0000
H4 0.0000 2.4232 -0.2521   2.4232 -0.2521 0.0000
H5 0.0000 -2.4232 -0.2521   -2.4232 -0.2521 0.0000
H6 0.9020 1.4489 -1.4601   1.4489 -1.4601 0.9020
H7 -0.9020 1.4489 -1.4601   1.4489 -1.4601 -0.9020
H8 -0.9020 -1.4489 -1.4601   -1.4489 -1.4601 -0.9020
H9 0.9020 -1.4489 -1.4601   -1.4489 -1.4601 0.9020
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9869 1.9869 2.5316 2.5316 2.5846 2.5846 2.5846 2.5846
C2 1.9869 2.9805 1.0992 3.9563 1.0991 1.0991 3.1377 3.1377
C3 1.9869 2.9805 3.9563 1.0992 3.1377 3.1377 1.0991 1.0991
H4 2.5316 1.0992 3.9563 4.8463 1.7950 1.7950 4.1552 4.1552
H5 2.5316 3.9563 1.0992 4.8463 4.1552 4.1552 1.7950 1.7950
H6 2.5846 1.0991 3.1377 1.7950 4.1552 1.8040 3.4135 2.8979
H7 2.5846 1.0991 3.1377 1.7950 4.1552 1.8040 2.8979 3.4135
H8 2.5846 3.1377 1.0991 4.1552 1.7950 3.4135 2.8979 1.8040
H9 2.5846 3.1377 1.0991 4.1552 1.7950 2.8979 3.4135 1.8040
Maximum atom distance is 4.8463Å 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 97.184
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 106.665 Se1 C2 H6 110.423
Se1 C2 H7 110.423 Se1 C3 H5 106.665
Se1 C3 H8 110.423 Se1 C3 H9 110.423
H4 C2 H6 109.475 H4 C2 H7 109.475
H5 C3 H8 109.475 H5 C3 H9 109.475
H6 C2 H7 110.304 H8 C3 H9 110.304

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