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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

CCD/6-31G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0756 0.1419   1.0756 0.0000 0.1419
C2 0.0000 -1.0756 0.1419   -1.0756 0.0000 0.1419
C3 -1.0756 0.0000 -0.1419   0.0000 -1.0756 -0.1419
C4 1.0756 0.0000 -0.1419   0.0000 1.0756 -0.1419
H5 0.0000 1.3628 1.1942   1.3628 0.0000 1.1942
H6 0.0000 1.9785 -0.4677   1.9785 0.0000 -0.4677
H7 0.0000 -1.3628 1.1942   -1.3628 0.0000 1.1942
H8 0.0000 -1.9785 -0.4677   -1.9785 0.0000 -0.4677
H9 -1.3628 0.0000 -1.1942   0.0000 -1.3628 -1.1942
H10 -1.9785 0.0000 0.4677   0.0000 -1.9785 0.4677
H11 1.3628 0.0000 -1.1942   0.0000 1.3628 -1.1942
H12 1.9785 0.0000 0.4677   0.0000 1.9785 0.4677
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1513 1.5474 1.5474 1.0908 1.0894 2.6559 3.1144 2.1908 2.2755 2.1908 2.2755
C2 2.1513 1.5474 1.5474 2.6559 3.1144 1.0908 1.0894 2.1908 2.2755 2.1908 2.2755
C3 1.5474 1.5474 2.1513 2.1908 2.2755 2.1908 2.2755 1.0908 1.0894 2.6559 3.1144
C4 1.5474 1.5474 2.1513 2.1908 2.2755 2.1908 2.2755 2.6559 3.1144 1.0908 1.0894
H5 1.0908 2.6559 2.1908 2.1908 1.7723 2.7256 3.7318 3.0691 2.5099 3.0691 2.5099
H6 1.0894 3.1144 2.2755 2.2755 1.7723 3.7318 3.9570 2.5099 2.9503 2.5099 2.9503
H7 2.6559 1.0908 2.1908 2.1908 2.7256 3.7318 1.7723 3.0691 2.5099 3.0691 2.5099
H8 3.1144 1.0894 2.2755 2.2755 3.7318 3.9570 1.7723 2.5099 2.9503 2.5099 2.9503
H9 2.1908 2.1908 1.0908 2.6559 3.0691 2.5099 3.0691 2.5099 1.7723 2.7256 3.7318
H10 2.2755 2.2755 1.0894 3.1144 2.5099 2.9503 2.5099 2.9503 1.7723 3.7318 3.9570
H11 2.1908 2.1908 2.6559 1.0908 3.0691 2.5099 3.0691 2.5099 2.7256 3.7318 1.7723
H12 2.2755 2.2755 3.1144 1.0894 2.5099 2.9503 2.5099 2.9503 3.7318 3.9570 1.7723
Maximum atom distance is 3.9570Å 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 88.073 C1 C4 C2 88.073
C3 C1 C4 88.073 C3 C2 C4 88.073
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.094 C1 C3 H10 118.261
C1 C4 H11 111.094 C1 C4 H12 118.261
C2 C3 H9 111.094 C2 C3 H10 118.261
C2 C4 H11 111.094 C2 C4 H12 118.261
C3 C1 H5 111.094 C3 C1 H6 118.261
C3 C2 H7 111.094 C3 C2 H8 118.261
C4 C1 H5 111.094 C4 C1 H6 118.261
C4 C2 H7 111.094 C4 C2 H8 118.261
H5 C1 H6 108.763 H7 C2 H8 108.763
H9 C3 H10 108.763 H11 C4 H12 108.763

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