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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

B3PW91/cc-pVDZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0794 0.1272   1.0794 0.0000 0.1272
C2 0.0000 -1.0794 0.1272   -1.0794 0.0000 0.1272
C3 -1.0794 0.0000 -0.1272   0.0000 -1.0794 -0.1272
C4 1.0794 0.0000 -0.1272   0.0000 1.0794 -0.1272
H5 0.0000 1.4096 1.1783   1.4096 0.0000 1.1783
H6 0.0000 1.9729 -0.5157   1.9729 0.0000 -0.5157
H7 0.0000 -1.4096 1.1783   -1.4096 0.0000 1.1783
H8 0.0000 -1.9729 -0.5157   -1.9729 0.0000 -0.5157
H9 -1.4096 0.0000 -1.1783   0.0000 -1.4096 -1.1783
H10 -1.9729 0.0000 0.5157   0.0000 -1.9729 0.5157
H11 1.4096 0.0000 -1.1783   0.0000 1.4096 -1.1783
H12 1.9729 0.0000 0.5157   0.0000 1.9729 0.5157
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1589 1.5476 1.5476 1.1017 1.1008 2.7018 3.1194 2.2037 2.2822 2.2037 2.2822
C2 2.1589 1.5476 1.5476 2.7018 3.1194 1.1017 1.1008 2.2037 2.2822 2.2037 2.2822
C3 1.5476 1.5476 2.1589 2.2037 2.2822 2.2037 2.2822 1.1017 1.1008 2.7018 3.1194
C4 1.5476 1.5476 2.1589 2.2037 2.2822 2.2037 2.2822 2.7018 3.1194 1.1017 1.1008
H5 1.1017 2.7018 2.2037 2.2037 1.7852 2.8191 3.7830 3.0866 2.5137 3.0866 2.5137
H6 1.1008 3.1194 2.2822 2.2822 1.7852 3.7830 3.9459 2.5137 2.9747 2.5137 2.9747
H7 2.7018 1.1017 2.2037 2.2037 2.8191 3.7830 1.7852 3.0866 2.5137 3.0866 2.5137
H8 3.1194 1.1008 2.2822 2.2822 3.7830 3.9459 1.7852 2.5137 2.9747 2.5137 2.9747
H9 2.2037 2.2037 1.1017 2.7018 3.0866 2.5137 3.0866 2.5137 1.7852 2.8191 3.7830
H10 2.2822 2.2822 1.1008 3.1194 2.5137 2.9747 2.5137 2.9747 1.7852 3.7830 3.9459
H11 2.2037 2.2037 2.7018 1.1017 3.0866 2.5137 3.0866 2.5137 2.8191 3.7830 1.7852
H12 2.2822 2.2822 3.1194 1.1008 2.5137 2.9747 2.5137 2.9747 3.7830 3.9459 1.7852
Maximum atom distance is 3.9459Å 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 88.451 C1 C4 C2 88.451
C3 C1 C4 88.451 C3 C2 C4 88.451
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.460 C1 C3 H10 118.043
C1 C4 H11 111.460 C1 C4 H12 118.043
C2 C3 H9 111.460 C2 C3 H10 118.043
C2 C4 H11 111.460 C2 C4 H12 118.043
C3 C1 H5 111.460 C3 C1 H6 118.043
C3 C2 H7 111.460 C3 C2 H8 118.043
C4 C1 H5 111.460 C4 C1 H6 118.043
C4 C2 H7 111.460 C4 C2 H8 118.043
H5 C1 H6 108.300 H7 C2 H8 108.300
H9 C3 H10 108.300 H11 C4 H12 108.300

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