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Geometry for C2H3+ (vinyl cation) 1A1 C2V HCCH2

1910171554
InChI=1S/C2H3/c1-2/h1H,2H2/q+1 INChIKey=QLLSNXSJBAXPLZ-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.0000 0.9416 -1.1624   -1.1624 0.9416 0.0000
C2 0.0000 0.0000 -0.5893   -0.5893 0.0000 0.0000
C3 0.0000 0.0000 0.6822   0.6822 0.0000 0.0000
H4 0.0000 -0.9416 -1.1624   -1.1624 -0.9416 0.0000
H5 0.0000 0.0000 1.7679   1.7679 0.0000 0.0000
Atom - Atom Distances (Å)
  H1 C2 C3 H4 H5
H1 1.1023 2.0710 1.8832 3.0779
C2 1.1023 1.2715 1.1023 2.3572
C3 2.0710 1.2715 2.0710 1.0857
H4 1.8832 1.1023 2.0710 3.0779
H5 3.0779 2.3572 1.0857 3.0779
Maximum atom distance is 3.0779Å between atoms H1 and H5.
picture of vinyl cation
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 C3 121.325 H1 C2 H4 117.349
H1 C3 C2 27.043 H1 C3 H5 152.957
C2 H1 C3 31.632 C2 C3 H5 180.000
C3 C2 H4 121.325

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