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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

MP2=FULL/STO-3G


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.1040 0.1195   1.1040 0.0000 0.1195
C2 0.0000 -1.1040 0.1195   -1.1040 0.0000 0.1195
C3 -1.1040 0.0000 -0.1195   0.0000 -1.1040 -0.1195
C4 1.1040 0.0000 -0.1195   0.0000 1.1040 -0.1195
H5 0.0000 1.4571 1.1704   1.4571 0.0000 1.1704
H6 0.0000 1.9843 -0.5552   1.9843 0.0000 -0.5552
H7 0.0000 -1.4571 1.1704   -1.4571 0.0000 1.1704
H8 0.0000 -1.9843 -0.5552   -1.9843 0.0000 -0.5552
H9 -1.4571 0.0000 -1.1704   0.0000 -1.4571 -1.1704
H10 -1.9843 0.0000 0.5552   0.0000 -1.9843 0.5552
H11 1.4571 0.0000 -1.1704   0.0000 1.4571 -1.1704
H12 1.9843 0.0000 0.5552   0.0000 1.9843 0.5552
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.2081 1.5795 1.5795 1.1087 1.1091 2.7684 3.1612 2.2374 2.3122 2.2374 2.3122
C2 2.2081 1.5795 1.5795 2.7684 3.1612 1.1087 1.1091 2.2374 2.3122 2.2374 2.3122
C3 1.5795 1.5795 2.2081 2.2374 2.3122 2.2374 2.3122 1.1087 1.1091 2.7684 3.1612
C4 1.5795 1.5795 2.2081 2.2374 2.3122 2.2374 2.3122 2.7684 3.1612 1.1087 1.1091
H5 1.1087 2.7684 2.2374 2.2374 1.8044 2.9142 3.8498 3.1186 2.5375 3.1186 2.5375
H6 1.1091 3.1612 2.3122 2.3122 1.8044 3.8498 3.9686 2.5375 3.0179 2.5375 3.0179
H7 2.7684 1.1087 2.2374 2.2374 2.9142 3.8498 1.8044 3.1186 2.5375 3.1186 2.5375
H8 3.1612 1.1091 2.3122 2.3122 3.8498 3.9686 1.8044 2.5375 3.0179 2.5375 3.0179
H9 2.2374 2.2374 1.1087 2.7684 3.1186 2.5375 3.1186 2.5375 1.8044 2.9142 3.8498
H10 2.3122 2.3122 1.1091 3.1612 2.5375 3.0179 2.5375 3.0179 1.8044 3.8498 3.9686
H11 2.2374 2.2374 2.7684 1.1087 3.1186 2.5375 3.1186 2.5375 2.9142 3.8498 1.8044
H12 2.3122 2.3122 3.1612 1.1091 2.5375 3.0179 2.5375 3.0179 3.8498 3.9686 1.8044
Maximum atom distance is 3.9686Å 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 88.689 C1 C4 C2 88.689
C3 C1 C4 88.689 C3 C2 C4 88.689
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.468 C1 C3 H10 117.566
C1 C4 H11 111.468 C1 C4 H12 117.566
C2 C3 H9 111.468 C2 C3 H10 117.566
C2 C4 H11 111.468 C2 C4 H12 117.566
C3 C1 H5 111.468 C3 C1 H6 117.566
C3 C2 H7 111.468 C3 C2 H8 117.566
C4 C1 H5 111.468 C4 C1 H6 117.566
C4 C2 H7 111.468 C4 C2 H8 117.566
H5 C1 H6 108.897 H7 C2 H8 108.897
H9 C3 H10 108.897 H11 C4 H12 108.897

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