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Geometry for CH3SeCH3 (dimethylselenide) 1A1 C2V

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

QCISD(T)/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 0.4819   0.4819 0.0000 0.0000
C2 0.0000 1.4545 -0.8323   -0.8323 0.0000 1.4545
C3 0.0000 -1.4545 -0.8323   -0.8323 0.0000 -1.4545
H4 0.0000 2.4059 -0.2715   -0.2715 0.0000 2.4059
H5 0.0000 -2.4059 -0.2715   -0.2715 0.0000 -2.4059
H6 0.9053 1.4053 -1.4633   -1.4633 0.9053 1.4053
H7 -0.9053 1.4053 -1.4633   -1.4633 -0.9053 1.4053
H8 -0.9053 -1.4053 -1.4633   -1.4633 -0.9053 -1.4053
H9 0.9053 -1.4053 -1.4633   -1.4633 0.9053 -1.4053
Atom - Atom Distances (Å)
  Se1 C2 C3 H4 H5 H6 H7 H8 H9
Se1 1.9602 1.9602 2.5211 2.5211 2.5648 2.5648 2.5648 2.5648
C2 1.9602 2.9091 1.1043 3.9010 1.1046 1.1046 3.0654 3.0654
C3 1.9602 2.9091 3.9010 1.1043 3.0654 3.0654 1.1046 1.1046
H4 2.5211 1.1043 3.9010 4.8119 1.8003 1.8003 4.0946 4.0946
H5 2.5211 3.9010 1.1043 4.8119 4.0946 4.0946 1.8003 1.8003
H6 2.5648 1.1046 3.0654 1.8003 4.0946 1.8106 3.3434 2.8107
H7 2.5648 1.1046 3.0654 1.8003 4.0946 1.8106 2.8107 3.3434
H8 2.5648 3.0654 1.1046 4.0946 1.8003 3.3434 2.8107 1.8106
H9 2.5648 3.0654 1.1046 4.0946 1.8003 2.8107 3.3434 1.8106
Maximum atom distance is 4.8119Å 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 95.807
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 107.390 Se1 C2 H6 110.483
Se1 C2 H7 110.483 Se1 C3 H5 107.390
Se1 C3 H8 110.483 Se1 C3 H9 110.483
H4 C2 H6 109.174 H4 C2 H7 109.174
H5 C3 H8 109.174 H5 C3 H9 109.174
H6 C2 H7 110.077 H8 C3 H9 110.077

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