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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

HF/6-311G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0784 0.1266   1.0784 0.0000 0.1266
C2 0.0000 -1.0784 0.1266   -1.0784 0.0000 0.1266
C3 -1.0784 0.0000 -0.1266   0.0000 -1.0784 -0.1266
C4 1.0784 0.0000 -0.1266   0.0000 1.0784 -0.1266
H5 0.0000 1.4071 1.1612   1.4071 0.0000 1.1612
H6 0.0000 1.9538 -0.5134   1.9538 0.0000 -0.5134
H7 0.0000 -1.4071 1.1612   -1.4071 0.0000 1.1612
H8 0.0000 -1.9538 -0.5134   -1.9538 0.0000 -0.5134
H9 -1.4071 0.0000 -1.1612   0.0000 -1.4071 -1.1612
H10 -1.9538 0.0000 0.5134   0.0000 -1.9538 0.5134
H11 1.4071 0.0000 -1.1612   0.0000 1.4071 -1.1612
H12 1.9538 0.0000 0.5134   0.0000 1.9538 0.5134
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1569 1.5460 1.5460 1.0855 1.0843 2.6923 3.0990 2.1913 2.2649 2.1913 2.2649
C2 2.1569 1.5460 1.5460 2.6923 3.0990 1.0855 1.0843 2.1913 2.2649 2.1913 2.2649
C3 1.5460 1.5460 2.1569 2.1913 2.2649 2.1913 2.2649 1.0855 1.0843 2.6923 3.0990
C4 1.5460 1.5460 2.1569 2.1913 2.2649 2.1913 2.2649 2.6923 3.0990 1.0855 1.0843
H5 1.0855 2.6923 2.1913 2.1913 1.7616 2.8142 3.7550 3.0584 2.4934 3.0584 2.4934
H6 1.0843 3.0990 2.2649 2.2649 1.7616 3.7550 3.9075 2.4934 2.9476 2.4934 2.9476
H7 2.6923 1.0855 2.1913 2.1913 2.8142 3.7550 1.7616 3.0584 2.4934 3.0584 2.4934
H8 3.0990 1.0843 2.2649 2.2649 3.7550 3.9075 1.7616 2.4934 2.9476 2.4934 2.9476
H9 2.1913 2.1913 1.0855 2.6923 3.0584 2.4934 3.0584 2.4934 1.7616 2.8142 3.7550
H10 2.2649 2.2649 1.0843 3.0990 2.4934 2.9476 2.4934 2.9476 1.7616 3.7550 3.9075
H11 2.1913 2.1913 2.6923 1.0855 3.0584 2.4934 3.0584 2.4934 2.8142 3.7550 1.7616
H12 2.2649 2.2649 3.0990 1.0843 2.4934 2.9476 2.4934 2.9476 3.7550 3.9075 1.7616
Maximum atom distance is 3.9075Å 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 88.462 C1 C4 C2 88.462
C3 C1 C4 88.462 C3 C2 C4 88.462
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.551 C1 C3 H10 117.801
C1 C4 H11 111.551 C1 C4 H12 117.801
C2 C3 H9 111.551 C2 C3 H10 117.801
C2 C4 H11 111.551 C2 C4 H12 117.801
C3 C1 H5 111.551 C3 C1 H6 117.801
C3 C2 H7 111.551 C3 C2 H8 117.801
C4 C1 H5 111.551 C4 C1 H6 117.801
C4 C2 H7 111.551 C4 C2 H8 117.801
H5 C1 H6 108.549 H7 C2 H8 108.549
H9 C3 H10 108.549 H11 C4 H12 108.549

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