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Geometry for C2H7+ (Ethane, protonated) 1A C2

1910171554
InChI=1S/C2H7/c1-3-2/h1-2H3/q+1 INChIKey=UQJIDEGGAKZKSY-UHFFFAOYSA-N

CCSD(T)/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.0000 0.0000 0.7275   0.0000 0.7275 0.0000
C2 0.0000 0.9858 -0.0176   0.9858 -0.0176 -0.0028
C3 0.0000 -0.9858 -0.0176   -0.9858 -0.0176 0.0028
H4 0.4321 1.5284 0.8291   1.5296 0.8291 0.4278
H5 -0.4321 -1.5284 0.8291   -1.5296 0.8291 -0.4278
H6 0.6552 0.9978 -0.8788   0.9996 -0.8788 0.6524
H7 -0.6552 -0.9978 -0.8788   -0.9996 -0.8788 -0.6524
H8 -1.0394 1.2244 -0.2082   1.2215 -0.2082 -1.0429
H9 1.0394 -1.2244 -0.2082   -1.2215 -0.2082 1.0429
Atom - Atom Distances (Å)
  H1 C2 C3 H4 H5 H6 H7 H8 H9
H1 1.2357 1.2357 1.5915 1.5915 2.0013 2.0013 1.8588 1.8588
C2 1.2357 1.9715 1.0946 2.6879 1.0821 2.2595 1.0834 2.4498
C3 1.2357 1.9715 2.6879 1.0946 2.2595 1.0821 2.4498 1.0834
H4 1.5915 1.0946 2.6879 3.1766 1.8023 3.2373 1.8258 3.0038
H5 1.5915 2.6879 1.0946 3.1766 3.2373 1.8023 3.0038 1.8258
H6 2.0013 1.0821 2.2595 1.8023 3.2373 2.3873 1.8365 2.3528
H7 2.0013 2.2595 1.0821 3.2373 1.8023 2.3873 2.3528 1.8365
H8 1.8588 1.0834 2.4498 1.8258 3.0038 1.8365 2.3528 3.2123
H9 1.8588 2.4498 1.0834 3.0038 1.8258 2.3528 1.8365 3.2123
Maximum atom distance is 3.2373Å between atoms H4 and H7.
picture of Ethane, protonated
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 H4 85.926 H1 C2 H6 119.257
H1 C2 H8 106.368 H1 C3 H5 85.926
H1 C3 H7 119.257 H1 C3 H9 106.368
C2 H1 C3 105.825 H4 C2 H6 111.786
H4 C2 H8 113.927 H5 C3 H7 111.786
H5 C3 H9 113.927 H6 C2 H8 116.008
H7 C3 H9 116.008

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