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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

CCD/aug-cc-pVDZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0857 0.1410   0.0000 1.0857 0.1410
C2 0.0000 -1.0857 0.1410   0.0000 -1.0857 0.1410
C3 -1.0857 0.0000 -0.1410   -1.0857 0.0000 -0.1410
C4 1.0857 0.0000 -0.1410   1.0857 0.0000 -0.1410
H5 0.0000 1.3786 1.2044   0.0000 1.3786 1.2044
H6 0.0000 1.9942 -0.4817   0.0000 1.9942 -0.4817
H7 0.0000 -1.3786 1.2044   0.0000 -1.3786 1.2044
H8 0.0000 -1.9942 -0.4817   0.0000 -1.9942 -0.4817
H9 -1.3786 0.0000 -1.2044   -1.3786 0.0000 -1.2044
H10 -1.9942 0.0000 0.4817   -1.9942 0.0000 0.4817
H11 1.3786 0.0000 -1.2044   1.3786 0.0000 -1.2044
H12 1.9942 0.0000 0.4817   1.9942 0.0000 0.4817
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1715 1.5612 1.5612 1.1029 1.1014 2.6840 3.1422 2.2112 2.2960 2.2112 2.2960
C2 2.1715 1.5612 1.5612 2.6840 3.1422 1.1029 1.1014 2.2112 2.2960 2.2112 2.2960
C3 1.5612 1.5612 2.1715 2.2112 2.2960 2.2112 2.2960 1.1029 1.1014 2.6840 3.1422
C4 1.5612 1.5612 2.1715 2.2112 2.2960 2.2112 2.2960 2.6840 3.1422 1.1029 1.1014
H5 1.1029 2.6840 2.2112 2.2112 1.7949 2.7572 3.7707 3.0989 2.5297 3.0989 2.5297
H6 1.1014 3.1422 2.2960 2.2960 1.7949 3.7707 3.9884 2.5297 2.9802 2.5297 2.9802
H7 2.6840 1.1029 2.2112 2.2112 2.7572 3.7707 1.7949 3.0989 2.5297 3.0989 2.5297
H8 3.1422 1.1014 2.2960 2.2960 3.7707 3.9884 1.7949 2.5297 2.9802 2.5297 2.9802
H9 2.2112 2.2112 1.1029 2.6840 3.0989 2.5297 3.0989 2.5297 1.7949 2.7572 3.7707
H10 2.2960 2.2960 1.1014 3.1422 2.5297 2.9802 2.5297 2.9802 1.7949 3.7707 3.9884
H11 2.2112 2.2112 2.6840 1.1029 3.0989 2.5297 3.0989 2.5297 2.7572 3.7707 1.7949
H12 2.2960 2.2960 3.1422 1.1014 2.5297 2.9802 2.5297 2.9802 3.7707 3.9884 1.7949
Maximum atom distance is 3.9884Å 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 88.130 C1 C4 C2 88.130
C3 C1 C4 88.130 C3 C2 C4 88.130
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.027 C1 C3 H10 118.133
C1 C4 H11 111.027 C1 C4 H12 118.133
C2 C3 H9 111.027 C2 C3 H10 118.133
C2 C4 H11 111.027 C2 C4 H12 118.133
C3 C1 H5 111.027 C3 C1 H6 118.133
C3 C2 H7 111.027 C3 C2 H8 118.133
C4 C1 H5 111.027 C4 C1 H6 118.133
C4 C2 H7 111.027 C4 C2 H8 118.133
H5 C1 H6 109.031 H7 C2 H8 109.031
H9 C3 H10 109.031 H11 C4 H12 109.031

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