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Geometry for CH2CCH2 (allene) 1A1 D2D

1910171554
InChI=1S/C3H4/c1-3-2/h1-2H2 INChIKey=IYABWNGZIDDRAK-UHFFFAOYSA-N

B1B95/TZVP


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 0.0000 1.2972   1.2972 0.0000 0.0000
C3 0.0000 0.0000 -1.2972   -1.2972 0.0000 0.0000
H4 0.0000 0.9258 1.8577   1.8577 0.9207 -0.0978
H5 0.0000 -0.9258 1.8577   1.8577 -0.9207 0.0978
H6 0.9258 0.0000 -1.8577   -1.8577 0.0978 0.9207
H7 -0.9258 0.0000 -1.8577   -1.8577 -0.0978 -0.9207
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.2972 1.2972 2.0757 2.0757 2.0757 2.0757
C2 1.2972 2.5945 1.0823 1.0823 3.2880 3.2880
C3 1.2972 2.5945 3.2880 3.2880 1.0823 1.0823
H4 2.0757 1.0823 3.2880 1.8517 3.9394 3.9394
H5 2.0757 1.0823 3.2880 1.8517 3.9394 3.9394
H6 2.0757 3.2880 1.0823 3.9394 3.9394 1.8517
H7 2.0757 3.2880 1.0823 3.9394 3.9394 1.8517
Maximum atom distance is 3.9394Å between atoms H4 and H6.
picture of allene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 121.190 C1 C2 H5 121.190
C1 C3 H6 121.190 C1 C3 H7 121.190
H4 C2 H5 117.620 H6 C3 H7 117.620

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