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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

MP2/3-21G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0999 0.1435   1.0999 0.0000 0.1435
C2 0.0000 -1.0999 0.1435   -1.0999 0.0000 0.1435
C3 -1.0999 0.0000 -0.1435   0.0000 -1.0999 -0.1435
C4 1.0999 0.0000 -0.1435   0.0000 1.0999 -0.1435
H5 0.0000 1.3720 1.2030   1.3720 0.0000 1.2030
H6 0.0000 1.9970 -0.4780   1.9970 0.0000 -0.4780
H7 0.0000 -1.3720 1.2030   -1.3720 0.0000 1.2030
H8 0.0000 -1.9970 -0.4780   -1.9970 0.0000 -0.4780
H9 -1.3720 0.0000 -1.2030   0.0000 -1.3720 -1.2030
H10 -1.9970 0.0000 0.4780   0.0000 -1.9970 0.4780
H11 1.3720 0.0000 -1.2030   0.0000 1.3720 -1.2030
H12 1.9970 0.0000 0.4780   0.0000 1.9970 0.4780
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1997 1.5817 1.5817 1.0938 1.0914 2.6893 3.1586 2.2148 2.3043 2.2148 2.3043
C2 2.1997 1.5817 1.5817 2.6893 3.1586 1.0938 1.0914 2.2148 2.3043 2.2148 2.3043
C3 1.5817 1.5817 2.1997 2.2148 2.3043 2.2148 2.3043 1.0938 1.0914 2.6893 3.1586
C4 1.5817 1.5817 2.1997 2.2148 2.3043 2.2148 2.3043 2.6893 3.1586 1.0938 1.0914
H5 1.0938 2.6893 2.2148 2.2148 1.7934 2.7440 3.7651 3.0909 2.5291 3.0909 2.5291
H6 1.0914 3.1586 2.3043 2.3043 1.7934 3.7651 3.9941 2.5291 2.9817 2.5291 2.9817
H7 2.6893 1.0938 2.2148 2.2148 2.7440 3.7651 1.7934 3.0909 2.5291 3.0909 2.5291
H8 3.1586 1.0914 2.3043 2.3043 3.7651 3.9941 1.7934 2.5291 2.9817 2.5291 2.9817
H9 2.2148 2.2148 1.0938 2.6893 3.0909 2.5291 3.0909 2.5291 1.7934 2.7440 3.7651
H10 2.3043 2.3043 1.0914 3.1586 2.5291 2.9817 2.5291 2.9817 1.7934 3.7651 3.9941
H11 2.2148 2.2148 2.6893 1.0938 3.0909 2.5291 3.0909 2.5291 2.7440 3.7651 1.7934
H12 2.3043 2.3043 3.1586 1.0914 2.5291 2.9817 2.5291 2.9817 3.7651 3.9941 1.7934
Maximum atom distance is 3.9941Å 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 88.112 C1 C4 C2 88.112
C3 C1 C4 88.112 C3 C2 C4 88.112
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 110.414 C1 C3 H10 117.920
C1 C4 H11 110.414 C1 C4 H12 117.920
C2 C3 H9 110.414 C2 C3 H10 117.920
C2 C4 H11 110.414 C2 C4 H12 117.920
C3 C1 H5 110.414 C3 C1 H6 117.920
C3 C2 H7 110.414 C3 C2 H8 117.920
C4 C1 H5 110.414 C4 C1 H6 117.920
C4 C2 H7 110.414 C4 C2 H8 117.920
H5 C1 H6 110.307 H7 C2 H8 110.307
H9 C3 H10 110.307 H11 C4 H12 110.307

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