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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

MP3/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4776   0.0000 0.4776 0.0000
C2 0.0000 1.4534 -0.8268   1.4534 -0.8268 0.0000
C3 0.0000 -1.4534 -0.8268   -1.4534 -0.8268 0.0000
H4 0.0000 2.3854 -0.2688   2.3854 -0.2688 0.0000
H5 0.0000 -2.3854 -0.2688   -2.3854 -0.2688 0.0000
H6 0.8919 1.4030 -1.4448   1.4030 -1.4448 0.8919
H7 -0.8919 1.4030 -1.4448   1.4030 -1.4448 -0.8919
H8 -0.8919 -1.4030 -1.4448   -1.4030 -1.4448 -0.8919
H9 0.8919 -1.4030 -1.4448   -1.4030 -1.4448 0.8919
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9529 1.9529 2.4994 2.4994 2.5415 2.5415 2.5415 2.5415
C2 1.9529 2.9068 1.0862 3.8791 1.0863 1.0863 3.0555 3.0555
C3 1.9529 2.9068 3.8791 1.0862 3.0555 3.0555 1.0863 1.0863
H4 2.4994 1.0862 3.8791 4.7707 1.7730 1.7730 4.0657 4.0657
H5 2.4994 3.8791 1.0862 4.7707 4.0657 4.0657 1.7730 1.7730
H6 2.5415 1.0863 3.0555 1.7730 4.0657 1.7839 3.3250 2.8059
H7 2.5415 1.0863 3.0555 1.7730 4.0657 1.7839 2.8059 3.3250
H8 2.5415 3.0555 1.0863 4.0657 1.7730 3.3250 2.8059 1.7839
H9 2.5415 3.0555 1.0863 4.0657 1.7730 2.8059 3.3250 1.7839
Maximum atom distance is 4.7707Å 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 96.187
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.185 Se1 C2 H6 110.208
Se1 C2 H7 110.208 Se1 C3 H5 107.185
Se1 C3 H8 110.208 Se1 C3 H9 110.208
H4 C2 H6 109.394 H4 C2 H7 109.394
H5 C3 H8 109.394 H5 C3 H9 109.394
H6 C2 H7 110.387 H8 C3 H9 110.387

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