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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

BLYP/TZVP


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0938 0.1188   1.0938 0.0000 0.1188
C2 0.0000 -1.0938 0.1188   -1.0938 0.0000 0.1188
C3 -1.0938 0.0000 -0.1188   0.0000 -1.0938 -0.1188
C4 1.0938 0.0000 -0.1188   0.0000 1.0938 -0.1188
H5 0.0000 1.4501 1.1575   1.4501 0.0000 1.1575
H6 0.0000 1.9654 -0.5478   1.9654 0.0000 -0.5478
H7 0.0000 -1.4501 1.1575   -1.4501 0.0000 1.1575
H8 0.0000 -1.9654 -0.5478   -1.9654 0.0000 -0.5478
H9 -1.4501 0.0000 -1.1575   0.0000 -1.4501 -1.1575
H10 -1.9654 0.0000 0.5478   0.0000 -1.9654 0.5478
H11 1.4501 0.0000 -1.1575   0.0000 1.4501 -1.1575
H12 1.9654 0.0000 0.5478   0.0000 1.9654 0.5478
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1877 1.5651 1.5651 1.0981 1.0973 2.7478 3.1310 2.2200 2.2898 2.2200 2.2898
C2 2.1877 1.5651 1.5651 2.7478 3.1310 1.0981 1.0973 2.2200 2.2898 2.2200 2.2898
C3 1.5651 1.5651 2.1877 2.2200 2.2898 2.2200 2.2898 1.0981 1.0973 2.7478 3.1310
C4 1.5651 1.5651 2.1877 2.2200 2.2898 2.2200 2.2898 2.7478 3.1310 1.0981 1.0973
H5 1.0981 2.7478 2.2200 2.2200 1.7814 2.9003 3.8176 3.0927 2.5174 3.0927 2.5174
H6 1.0973 3.1310 2.2898 2.2898 1.7814 3.8176 3.9308 2.5174 2.9876 2.5174 2.9876
H7 2.7478 1.0981 2.2200 2.2200 2.9003 3.8176 1.7814 3.0927 2.5174 3.0927 2.5174
H8 3.1310 1.0973 2.2898 2.2898 3.8176 3.9308 1.7814 2.5174 2.9876 2.5174 2.9876
H9 2.2200 2.2200 1.0981 2.7478 3.0927 2.5174 3.0927 2.5174 1.7814 2.9003 3.8176
H10 2.2898 2.2898 1.0973 3.1310 2.5174 2.9876 2.5174 2.9876 1.7814 3.8176 3.9308
H11 2.2200 2.2200 2.7478 1.0981 3.0927 2.5174 3.0927 2.5174 2.9003 3.8176 1.7814
H12 2.2898 2.2898 3.1310 1.0973 2.5174 2.9876 2.5174 2.9876 3.8176 3.9308 1.7814
Maximum atom distance is 3.9308Å 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 88.678 C1 C4 C2 88.678
C3 C1 C4 88.678 C3 C2 C4 88.678
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.742 C1 C3 H10 117.572
C1 C4 H11 111.742 C1 C4 H12 117.572
C2 C3 H9 111.742 C2 C3 H10 117.572
C2 C4 H11 111.742 C2 C4 H12 117.572
C3 C1 H5 111.742 C3 C1 H6 117.572
C3 C2 H7 111.742 C3 C2 H8 117.572
C4 C1 H5 111.742 C4 C1 H6 117.572
C4 C2 H7 111.742 C4 C2 H8 117.572
H5 C1 H6 108.478 H7 C2 H8 108.478
H9 C3 H10 108.478 H11 C4 H12 108.478

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