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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

CCSD/TZVP


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0755 0.1484   1.0755 0.0000 0.1484
C2 0.0000 -1.0755 0.1484   -1.0755 0.0000 0.1484
C3 -1.0755 0.0000 -0.1484   0.0000 -1.0755 -0.1484
C4 1.0755 0.0000 -0.1484   0.0000 1.0755 -0.1484
H5 0.0000 1.3440 1.2072   1.3440 0.0000 1.2072
H6 0.0000 1.9857 -0.4527   1.9857 0.0000 -0.4527
H7 0.0000 -1.3440 1.2072   -1.3440 0.0000 1.2072
H8 0.0000 -1.9857 -0.4527   -1.9857 0.0000 -0.4527
H9 -1.3440 0.0000 -1.2072   0.0000 -1.3440 -1.2072
H10 -1.9857 0.0000 0.4527   0.0000 -1.9857 0.4527
H11 1.3440 0.0000 -1.2072   0.0000 1.3440 -1.2072
H12 1.9857 0.0000 0.4527   0.0000 1.9857 0.4527
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1510 1.5496 1.5496 1.0923 1.0908 2.6410 3.1196 2.1911 2.2786 2.1911 2.2786
C2 2.1510 1.5496 1.5496 2.6410 3.1196 1.0923 1.0908 2.1911 2.2786 2.1911 2.2786
C3 1.5496 1.5496 2.1510 2.1911 2.2786 2.1911 2.2786 1.0923 1.0908 2.6410 3.1196
C4 1.5496 1.5496 2.1510 2.1911 2.2786 2.1911 2.2786 2.6410 3.1196 1.0923 1.0908
H5 1.0923 2.6410 2.1911 2.1911 1.7795 2.6881 3.7205 3.0728 2.5137 3.0728 2.5137
H6 1.0908 3.1196 2.2786 2.2786 1.7795 3.7205 3.9714 2.5137 2.9505 2.5137 2.9505
H7 2.6410 1.0923 2.1911 2.1911 2.6881 3.7205 1.7795 3.0728 2.5137 3.0728 2.5137
H8 3.1196 1.0908 2.2786 2.2786 3.7205 3.9714 1.7795 2.5137 2.9505 2.5137 2.9505
H9 2.1911 2.1911 1.0923 2.6410 3.0728 2.5137 3.0728 2.5137 1.7795 2.6881 3.7205
H10 2.2786 2.2786 1.0908 3.1196 2.5137 2.9505 2.5137 2.9505 1.7795 3.7205 3.9714
H11 2.1911 2.1911 2.6410 1.0923 3.0728 2.5137 3.0728 2.5137 2.6881 3.7205 1.7795
H12 2.2786 2.2786 3.1196 1.0908 2.5137 2.9505 2.5137 2.9505 3.7205 3.9714 1.7795
Maximum atom distance is 3.9714Å 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 87.897 C1 C4 C2 87.897
C3 C1 C4 87.897 C3 C2 C4 87.897
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 110.873 C1 C3 H10 118.267
C1 C4 H11 110.873 C1 C4 H12 118.267
C2 C3 H9 110.873 C2 C3 H10 118.267
C2 C4 H11 110.873 C2 C4 H12 118.267
C3 C1 H5 110.873 C3 C1 H6 118.267
C3 C2 H7 110.873 C3 C2 H8 118.267
C4 C1 H5 110.873 C4 C1 H6 118.267
C4 C2 H7 110.873 C4 C2 H8 118.267
H5 C1 H6 109.207 H7 C2 H8 109.207
H9 C3 H10 109.207 H11 C4 H12 109.207

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