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Geometry for C4H8 (cyclobutane) 1A1 D2D

1910171554
InChI=1S/C4H8/c1-2-4-3-1/h1-4H2 INChIKey=PMPVIKIVABFJJI-UHFFFAOYSA-N

QCISD/6-31G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0762 0.1428   1.0762 0.0000 0.1428
C2 0.0000 -1.0762 0.1428   -1.0762 0.0000 0.1428
C3 -1.0762 0.0000 -0.1428   0.0000 -1.0762 -0.1428
C4 1.0762 0.0000 -0.1428   0.0000 1.0762 -0.1428
H5 0.0000 1.3613 1.1965   1.3613 0.0000 1.1965
H6 0.0000 1.9808 -0.4655   1.9808 0.0000 -0.4655
H7 0.0000 -1.3613 1.1965   -1.3613 0.0000 1.1965
H8 0.0000 -1.9808 -0.4655   -1.9808 0.0000 -0.4655
H9 -1.3613 0.0000 -1.1965   0.0000 -1.3613 -1.1965
H10 -1.9808 0.0000 0.4655   0.0000 -1.9808 0.4655
H11 1.3613 0.0000 -1.1965   0.0000 1.3613 -1.1965
H12 1.9808 0.0000 0.4655   0.0000 1.9808 0.4655
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1524 1.5485 1.5485 1.0916 1.0901 2.6555 3.1169 2.1920 2.2772 2.1920 2.2772
C2 2.1524 1.5485 1.5485 2.6555 3.1169 1.0916 1.0901 2.1920 2.2772 2.1920 2.2772
C3 1.5485 1.5485 2.1524 2.1920 2.2772 2.1920 2.2772 1.0916 1.0901 2.6555 3.1169
C4 1.5485 1.5485 2.1524 2.1920 2.2772 2.1920 2.2772 2.6555 3.1169 1.0916 1.0901
H5 1.0916 2.6555 2.1920 2.1920 1.7737 2.7226 3.7325 3.0712 2.5121 3.0712 2.5121
H6 1.0901 3.1169 2.2772 2.2772 1.7737 3.7325 3.9615 2.5121 2.9519 2.5121 2.9519
H7 2.6555 1.0916 2.1920 2.1920 2.7226 3.7325 1.7737 3.0712 2.5121 3.0712 2.5121
H8 3.1169 1.0901 2.2772 2.2772 3.7325 3.9615 1.7737 2.5121 2.9519 2.5121 2.9519
H9 2.1920 2.1920 1.0916 2.6555 3.0712 2.5121 3.0712 2.5121 1.7737 2.7226 3.7325
H10 2.2772 2.2772 1.0901 3.1169 2.5121 2.9519 2.5121 2.9519 1.7737 3.7325 3.9615
H11 2.1920 2.1920 2.6555 1.0916 3.0712 2.5121 3.0712 2.5121 2.7226 3.7325 1.7737
H12 2.2772 2.2772 3.1169 1.0901 2.5121 2.9519 2.5121 2.9519 3.7325 3.9615 1.7737
Maximum atom distance is 3.9615Å between atoms H6 and H8.
picture of cyclobutane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C2 88.051 C1 C4 C2 88.051
C3 C1 C4 88.051 C3 C2 C4 88.051
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.073 C1 C3 H10 118.280
C1 C4 H11 111.073 C1 C4 H12 118.280
C2 C3 H9 111.073 C2 C3 H10 118.280
C2 C4 H11 111.073 C2 C4 H12 118.280
C3 C1 H5 111.073 C3 C1 H6 118.280
C3 C2 H7 111.073 C3 C2 H8 118.280
C4 C1 H5 111.073 C4 C1 H6 118.280
C4 C2 H7 111.073 C4 C2 H8 118.280
H5 C1 H6 108.779 H7 C2 H8 108.779
H9 C3 H10 108.779 H11 C4 H12 108.779

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