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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

B1B95/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0712 0.1394   1.0712 0.0000 0.1394
C2 0.0000 -1.0712 0.1394   -1.0712 0.0000 0.1394
C3 -1.0712 0.0000 -0.1394   0.0000 -1.0712 -0.1394
C4 1.0712 0.0000 -0.1394   0.0000 1.0712 -0.1394
H5 0.0000 1.3650 1.1923   1.3650 0.0000 1.1923
H6 0.0000 1.9750 -0.4739   1.9750 0.0000 -0.4739
H7 0.0000 -1.3650 1.1923   -1.3650 0.0000 1.1923
H8 0.0000 -1.9750 -0.4739   -1.9750 0.0000 -0.4739
H9 -1.3650 0.0000 -1.1923   0.0000 -1.3650 -1.1923
H10 -1.9750 0.0000 0.4739   0.0000 -1.9750 0.4739
H11 1.3650 0.0000 -1.1923   0.0000 1.3650 -1.1923
H12 1.9750 0.0000 0.4739   0.0000 1.9750 0.4739
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1424 1.5404 1.5404 1.0932 1.0922 2.6541 3.1073 2.1873 2.2716 2.1873 2.2716
C2 2.1424 1.5404 1.5404 2.6541 3.1073 1.0932 1.0922 2.1873 2.2716 2.1873 2.2716
C3 1.5404 1.5404 2.1424 2.1873 2.2716 2.1873 2.2716 1.0932 1.0922 2.6541 3.1073
C4 1.5404 1.5404 2.1424 2.1873 2.2716 2.1873 2.2716 2.6541 3.1073 1.0932 1.0922
H5 1.0932 2.6541 2.1873 2.1873 1.7744 2.7301 3.7326 3.0681 2.5060 3.0681 2.5060
H6 1.0922 3.1073 2.2716 2.2716 1.7744 3.7326 3.9500 2.5060 2.9495 2.5060 2.9495
H7 2.6541 1.0932 2.1873 2.1873 2.7301 3.7326 1.7744 3.0681 2.5060 3.0681 2.5060
H8 3.1073 1.0922 2.2716 2.2716 3.7326 3.9500 1.7744 2.5060 2.9495 2.5060 2.9495
H9 2.1873 2.1873 1.0932 2.6541 3.0681 2.5060 3.0681 2.5060 1.7744 2.7301 3.7326
H10 2.2716 2.2716 1.0922 3.1073 2.5060 2.9495 2.5060 2.9495 1.7744 3.7326 3.9500
H11 2.1873 2.1873 2.6541 1.0932 3.0681 2.5060 3.0681 2.5060 2.7301 3.7326 1.7744
H12 2.2716 2.2716 3.1073 1.0922 2.5060 2.9495 2.5060 2.9495 3.7326 3.9500 1.7744
Maximum atom distance is 3.9500Å 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 88.123 C1 C4 C2 88.123
C3 C1 C4 88.123 C3 C2 C4 88.123
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.177 C1 C3 H10 118.281
C1 C4 H11 111.177 C1 C4 H12 118.281
C2 C3 H9 111.177 C2 C3 H10 118.281
C2 C4 H11 111.177 C2 C4 H12 118.281
C3 C1 H5 111.177 C3 C1 H6 118.281
C3 C2 H7 111.177 C3 C2 H8 118.281
C4 C1 H5 111.177 C4 C1 H6 118.281
C4 C2 H7 111.177 C4 C2 H8 118.281
H5 C1 H6 108.570 H7 C2 H8 108.570
H9 C3 H10 108.570 H11 C4 H12 108.570

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