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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

B2PLYP=FULLultrafine/6-311G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0794 0.1369   1.0794 0.0000 0.1369
C2 0.0000 -1.0794 0.1369   -1.0794 0.0000 0.1369
C3 -1.0794 0.0000 -0.1369   0.0000 -1.0794 -0.1369
C4 1.0794 0.0000 -0.1369   0.0000 1.0794 -0.1369
H5 0.0000 1.3798 1.1872   1.3798 0.0000 1.1872
H6 0.0000 1.9758 -0.4851   1.9758 0.0000 -0.4851
H7 0.0000 -1.3798 1.1872   -1.3798 0.0000 1.1872
H8 0.0000 -1.9758 -0.4851   -1.9758 0.0000 -0.4851
H9 -1.3798 0.0000 -1.1872   0.0000 -1.3798 -1.1872
H10 -1.9758 0.0000 0.4851   0.0000 -1.9758 0.4851
H11 1.3798 0.0000 -1.1872   0.0000 1.3798 -1.1872
H12 1.9758 0.0000 0.4851   0.0000 1.9758 0.4851
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1588 1.5509 1.5509 1.0924 1.0911 2.6741 3.1179 2.1960 2.2782 2.1960 2.2782
C2 2.1588 1.5509 1.5509 2.6741 3.1179 1.0924 1.0911 2.1960 2.2782 2.1960 2.2782
C3 1.5509 1.5509 2.1588 2.1960 2.2782 2.1960 2.2782 1.0924 1.0911 2.6741 3.1179
C4 1.5509 1.5509 2.1588 2.1960 2.2782 2.1960 2.2782 2.6741 3.1179 1.0924 1.0911
H5 1.0924 2.6741 2.1960 2.1960 1.7754 2.7596 3.7492 3.0734 2.5101 3.0734 2.5101
H6 1.0911 3.1179 2.2782 2.2782 1.7754 3.7492 3.9516 2.5101 2.9578 2.5101 2.9578
H7 2.6741 1.0924 2.1960 2.1960 2.7596 3.7492 1.7754 3.0734 2.5101 3.0734 2.5101
H8 3.1179 1.0911 2.2782 2.2782 3.7492 3.9516 1.7754 2.5101 2.9578 2.5101 2.9578
H9 2.1960 2.1960 1.0924 2.6741 3.0734 2.5101 3.0734 2.5101 1.7754 2.7596 3.7492
H10 2.2782 2.2782 1.0911 3.1179 2.5101 2.9578 2.5101 2.9578 1.7754 3.7492 3.9516
H11 2.1960 2.1960 2.6741 1.0924 3.0734 2.5101 3.0734 2.5101 2.7596 3.7492 1.7754
H12 2.2782 2.2782 3.1179 1.0911 2.5101 2.9578 2.5101 2.9578 3.7492 3.9516 1.7754
Maximum atom distance is 3.9516Å 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 88.213 C1 C4 C2 88.213
C3 C1 C4 88.213 C3 C2 C4 88.213
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.172 C1 C3 H10 118.107
C1 C4 H11 111.172 C1 C4 H12 118.107
C2 C3 H9 111.172 C2 C3 H10 118.107
C2 C4 H11 111.172 C2 C4 H12 118.107
C3 C1 H5 111.172 C3 C1 H6 118.107
C3 C2 H7 111.172 C3 C2 H8 118.107
C4 C1 H5 111.172 C4 C1 H6 118.107
C4 C2 H7 111.172 C4 C2 H8 118.107
H5 C1 H6 108.798 H7 C2 H8 108.798
H9 C3 H10 108.798 H11 C4 H12 108.798

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