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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

mPW1PW91/6-31+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 0.4708   0.4708 0.0000 0.0000
C2 0.0000 1.4536 -0.8137   -0.8137 0.0000 1.4536
C3 0.0000 -1.4536 -0.8137   -0.8137 0.0000 -1.4536
H4 0.0000 2.3850 -0.2462   -0.2462 0.0000 2.3850
H5 0.0000 -2.3850 -0.2462   -0.2462 0.0000 -2.3850
H6 0.8937 1.4151 -1.4380   -1.4380 0.8937 1.4151
H7 -0.8937 1.4151 -1.4380   -1.4380 -0.8937 1.4151
H8 -0.8937 -1.4151 -1.4380   -1.4380 -0.8937 -1.4151
H9 0.8937 -1.4151 -1.4380   -1.4380 0.8937 -1.4151
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9398 1.9398 2.4905 2.4905 2.5386 2.5386 2.5386 2.5386
C2 1.9398 2.9071 1.0907 3.8803 1.0908 1.0908 3.0688 3.0688
C3 1.9398 2.9071 3.8803 1.0907 3.0688 3.0688 1.0908 1.0908
H4 2.4905 1.0907 3.8803 4.7700 1.7776 1.7776 4.0817 4.0817
H5 2.4905 3.8803 1.0907 4.7700 4.0817 4.0817 1.7776 1.7776
H6 2.5386 1.0908 3.0688 1.7776 4.0817 1.7874 3.3473 2.8302
H7 2.5386 1.0908 3.0688 1.7776 4.0817 1.7874 2.8302 3.3473
H8 2.5386 3.0688 1.0908 4.0817 1.7776 3.3473 2.8302 1.7874
H9 2.5386 3.0688 1.0908 4.0817 1.7776 2.8302 3.3473 1.7874
Maximum atom distance is 4.7700Å 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 97.068
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.182 Se1 C2 H6 110.643
Se1 C2 H7 110.643 Se1 C3 H5 107.182
Se1 C3 H8 110.643 Se1 C3 H9 110.643
H4 C2 H6 109.142 H4 C2 H7 109.142
H5 C3 H8 109.142 H5 C3 H9 109.142
H6 C2 H7 110.022 H8 C3 H9 110.022

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