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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/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.1090 0.0043   1.1090 0.0000 0.0043
C2 0.0000 -1.1090 0.0043   -1.1090 0.0000 0.0043
C3 -1.1090 0.0000 -0.0043   0.0000 -1.1090 -0.0043
C4 1.1090 0.0000 -0.0043   0.0000 1.1090 -0.0043
H5 0.0000 1.7529 0.8988   1.7529 0.0000 0.8988
H6 0.0000 1.7690 -0.8782   1.7690 0.0000 -0.8782
H7 0.0000 -1.7529 0.8988   -1.7529 0.0000 0.8988
H8 0.0000 -1.7690 -0.8782   -1.7690 0.0000 -0.8782
H9 -1.7529 0.0000 -0.8988   0.0000 -1.7529 -0.8988
H10 -1.7690 0.0000 0.8782   0.0000 -1.7690 0.8782
H11 1.7529 0.0000 -0.8988   0.0000 1.7529 -0.8988
H12 1.7690 0.0000 0.8782   0.0000 1.7690 0.8782
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.2180 1.5684 1.5684 1.1022 1.1019 2.9985 3.0102 2.2623 2.2634 2.2623 2.2634
C2 2.2180 1.5684 1.5684 2.9985 3.0102 1.1022 1.1019 2.2623 2.2634 2.2623 2.2634
C3 1.5684 1.5684 2.2180 2.2623 2.2634 2.2623 2.2634 1.1022 1.1019 2.9985 3.0102
C4 1.5684 1.5684 2.2180 2.2623 2.2634 2.2623 2.2634 2.9985 3.0102 1.1022 1.1019
H5 1.1022 2.9985 2.2623 2.2623 1.7770 3.5058 3.9448 3.0621 2.4905 3.0621 2.4905
H6 1.1019 3.0102 2.2634 2.2634 1.7770 3.9448 3.5380 2.4905 3.0567 2.4905 3.0567
H7 2.9985 1.1022 2.2623 2.2623 3.5058 3.9448 1.7770 3.0621 2.4905 3.0621 2.4905
H8 3.0102 1.1019 2.2634 2.2634 3.9448 3.5380 1.7770 2.4905 3.0567 2.4905 3.0567
H9 2.2623 2.2623 1.1022 2.9985 3.0621 2.4905 3.0621 2.4905 1.7770 3.5058 3.9448
H10 2.2634 2.2634 1.1019 3.0102 2.4905 3.0567 2.4905 3.0567 1.7770 3.9448 3.5380
H11 2.2623 2.2623 2.9985 1.1022 3.0621 2.4905 3.0621 2.4905 3.5058 3.9448 1.7770
H12 2.2634 2.2634 3.0102 1.1019 2.4905 3.0567 2.4905 3.0567 3.9448 3.5380 1.7770
Maximum atom distance is 3.9448Å between atoms H5 and H8.
picture of cyclobutane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C2 89.998 C1 C4 C2 89.998
C3 C1 C4 89.998 C3 C2 C4 89.998
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 114.675 C1 C3 H10 114.781
C1 C4 H11 114.675 C1 C4 H12 114.781
C2 C3 H9 114.675 C2 C3 H10 114.781
C2 C4 H11 114.675 C2 C4 H12 114.781
C3 C1 H5 114.675 C3 C1 H6 114.781
C3 C2 H7 114.675 C3 C2 H8 114.781
C4 C1 H5 114.675 C4 C1 H6 114.781
C4 C2 H7 114.675 C4 C2 H8 114.781
H5 C1 H6 107.462 H7 C2 H8 107.462
H9 C3 H10 107.462 H11 C4 H12 107.462

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