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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

PBEPBE/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.4892   0.4892 0.0000 0.0000
C2 0.0000 1.4833 -0.8501   -0.8501 0.0000 1.4833
C3 0.0000 -1.4833 -0.8501   -0.8501 0.0000 -1.4833
H4 0.0000 2.4244 -0.2820   -0.2820 0.0000 2.4244
H5 0.0000 -2.4244 -0.2820   -0.2820 0.0000 -2.4244
H6 0.9074 1.4221 -1.4668   -1.4668 0.9074 1.4221
H7 -0.9074 1.4221 -1.4668   -1.4668 -0.9074 1.4221
H8 -0.9074 -1.4221 -1.4668   -1.4668 -0.9074 -1.4221
H9 0.9074 -1.4221 -1.4668   -1.4668 0.9074 -1.4221
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9985 1.9985 2.5441 2.5441 2.5829 2.5829 2.5829 2.5829
C2 1.9985 2.9665 1.0994 3.9488 1.0988 1.0988 3.1056 3.1056
C3 1.9985 2.9665 3.9488 1.0994 3.1056 3.1056 1.0988 1.0988
H4 2.5441 1.0994 3.9488 4.8489 1.7977 1.7977 4.1259 4.1259
H5 2.5441 3.9488 1.0994 4.8489 4.1259 4.1259 1.7977 1.7977
H6 2.5829 1.0988 3.1056 1.7977 4.1259 1.8148 3.3739 2.8442
H7 2.5829 1.0988 3.1056 1.7977 4.1259 1.8148 2.8442 3.3739
H8 2.5829 3.1056 1.0988 4.1259 1.7977 3.3739 2.8442 1.8148
H9 2.5829 3.1056 1.0988 4.1259 1.7977 2.8442 3.3739 1.8148
Maximum atom distance is 4.8489Å 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 95.837
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 106.801 Se1 C2 H6 109.558
Se1 C2 H7 109.558 Se1 C3 H5 106.801
Se1 C3 H8 109.558 Se1 C3 H9 109.558
H4 C2 H6 109.735 H4 C2 H7 109.735
H5 C3 H8 109.735 H5 C3 H9 109.735
H6 C2 H7 111.345 H8 C3 H9 111.345

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