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Geometry for CH2CCH2 (allene) 1A1 D2D

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

CID/cc-pVTZ


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 1.2981   1.2981 0.0000 0.0000
C3 0.0000 0.0000 -1.2981   -1.2981 0.0000 0.0000
H4 0.0000 0.9232 1.8501   1.8501 0.9232 0.0000
H5 0.0000 -0.9232 1.8501   1.8501 -0.9232 0.0000
H6 0.9232 0.0000 -1.8501   -1.8501 0.0000 0.9232
H7 -0.9232 0.0000 -1.8501   -1.8501 0.0000 -0.9232
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.2981 1.2981 2.0676 2.0676 2.0676 2.0676
C2 1.2981 2.5961 1.0756 1.0756 3.2807 3.2807
C3 1.2981 2.5961 3.2807 3.2807 1.0756 1.0756
H4 2.0676 1.0756 3.2807 1.8463 3.9237 3.9237
H5 2.0676 1.0756 3.2807 1.8463 3.9237 3.9237
H6 2.0676 3.2807 1.0756 3.9237 3.9237 1.8463
H7 2.0676 3.2807 1.0756 3.9237 3.9237 1.8463
Maximum atom distance is 3.9237Å 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 120.878 C1 C2 H5 120.878
C1 C3 H6 120.878 C1 C3 H7 120.878
H4 C2 H5 118.244 H6 C3 H7 118.244

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