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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

B3PW91/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0788 0.1294   0.0000 1.0788 0.1294
C2 0.0000 -1.0788 0.1294   0.0000 -1.0788 0.1294
C3 -1.0788 0.0000 -0.1294   -1.0788 0.0000 -0.1294
C4 1.0788 0.0000 -0.1294   1.0788 0.0000 -0.1294
H5 0.0000 1.4025 1.1764   0.0000 1.4025 1.1764
H6 0.0000 1.9690 -0.5083   0.0000 1.9690 -0.5083
H7 0.0000 -1.4025 1.1764   0.0000 -1.4025 1.1764
H8 0.0000 -1.9690 -0.5083   0.0000 -1.9690 -0.5083
H9 -1.4025 0.0000 -1.1764   -1.4025 0.0000 -1.1764
H10 -1.9690 0.0000 0.5083   -1.9690 0.0000 0.5083
H11 1.4025 0.0000 -1.1764   1.4025 0.0000 -1.1764
H12 1.9690 0.0000 0.5083   1.9690 0.0000 0.5083
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1575 1.5474 1.5474 1.0959 1.0951 2.6931 3.1138 2.1991 2.2769 2.1991 2.2769
C2 2.1575 1.5474 1.5474 2.6931 3.1138 1.0959 1.0951 2.1991 2.2769 2.1991 2.2769
C3 1.5474 1.5474 2.1575 2.1991 2.2769 2.1991 2.2769 1.0959 1.0951 2.6931 3.1138
C4 1.5474 1.5474 2.1575 2.1991 2.2769 2.1991 2.2769 2.6931 3.1138 1.0959 1.0951
H5 1.0959 2.6931 2.1991 2.1991 1.7775 2.8049 3.7690 3.0773 2.5081 3.0773 2.5081
H6 1.0951 3.1138 2.2769 2.2769 1.7775 3.7690 3.9381 2.5081 2.9644 2.5081 2.9644
H7 2.6931 1.0959 2.1991 2.1991 2.8049 3.7690 1.7775 3.0773 2.5081 3.0773 2.5081
H8 3.1138 1.0951 2.2769 2.2769 3.7690 3.9381 1.7775 2.5081 2.9644 2.5081 2.9644
H9 2.1991 2.1991 1.0959 2.6931 3.0773 2.5081 3.0773 2.5081 1.7775 2.8049 3.7690
H10 2.2769 2.2769 1.0951 3.1138 2.5081 2.9644 2.5081 2.9644 1.7775 3.7690 3.9381
H11 2.1991 2.1991 2.6931 1.0959 3.0773 2.5081 3.0773 2.5081 2.8049 3.7690 1.7775
H12 2.2769 2.2769 3.1138 1.0951 2.5081 2.9644 2.5081 2.9644 3.7690 3.9381 1.7775
Maximum atom distance is 3.9381Å 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 88.396 C1 C4 C2 88.396
C3 C1 C4 88.396 C3 C2 C4 88.396
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.453 C1 C3 H10 117.990
C1 C4 H11 111.453 C1 C4 H12 117.990
C2 C3 H9 111.453 C2 C3 H10 117.990
C2 C4 H11 111.453 C2 C4 H12 117.990
C3 C1 H5 111.453 C3 C1 H6 117.990
C3 C2 H7 111.453 C3 C2 H8 117.990
C4 C1 H5 111.453 C4 C1 H6 117.990
C4 C2 H7 111.453 C4 C2 H8 117.990
H5 C1 H6 108.436 H7 C2 H8 108.436
H9 C3 H10 108.436 H11 C4 H12 108.436

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