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Geometry for C4H6 (Cyclobutene) 1A1 C2V

1910171554
InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2 INChIKey=CFBGXYDUODCMNS-UHFFFAOYSA-N

CID/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 -0.6661 0.8116   0.8116 -0.6661 0.0000
C2 0.0000 0.6661 0.8116   0.8116 0.6661 0.0000
C3 0.0000 -0.7809 -0.6975   -0.6975 -0.7809 0.0000
C4 0.0000 0.7809 -0.6975   -0.6975 0.7809 0.0000
H5 0.0000 -1.4128 1.5940   1.5940 -1.4128 0.0000
H6 0.0000 1.4128 1.5940   1.5940 1.4128 0.0000
H7 -0.8861 -1.2386 -1.1395   -1.1395 -1.2386 -0.8861
H8 0.8861 1.2386 -1.1395   -1.1395 1.2386 0.8861
H9 0.8861 -1.2386 -1.1395   -1.1395 -1.2386 0.8861
H10 -0.8861 1.2386 -1.1395   -1.1395 1.2386 -0.8861
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.3323 1.5134 2.0907 1.0815 2.2213 2.2181 2.8671 2.2181 2.8671
C2 1.3323 2.0907 1.5134 2.2213 1.0815 2.8671 2.2181 2.8671 2.2181
C3 1.5134 2.0907 1.5618 2.3770 3.1723 1.0909 2.2492 1.0909 2.2492
C4 2.0907 1.5134 1.5618 3.1723 2.3770 2.2492 1.0909 2.2492 1.0909
H5 1.0815 2.2213 2.3770 3.1723 2.8257 2.8788 3.9099 2.8788 3.9099
H6 2.2213 1.0815 3.1723 2.3770 2.8257 3.9099 2.8788 3.9099 2.8788
H7 2.2181 2.8671 1.0909 2.2492 2.8788 3.9099 3.0459 1.7722 2.4772
H8 2.8671 2.2181 2.2492 1.0909 3.9099 2.8788 3.0459 2.4772 1.7722
H9 2.2181 2.8671 1.0909 2.2492 2.8788 3.9099 1.7722 2.4772 3.0459
H10 2.8671 2.2181 2.2492 1.0909 3.9099 2.8788 2.4772 1.7722 3.0459
Maximum atom distance is 3.9099Å between atoms H5 and H8.
picture of Cyclobutene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 94.348 C1 C3 C4 85.652
C2 C1 C3 94.348 C2 C4 C3 85.652
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 133.662 C1 C3 H7 115.840
C1 C3 H9 115.840 C2 C1 H5 133.662
C2 C4 H8 115.840 C2 C4 H10 115.840
C3 C1 H5 131.989 C3 C4 H8 114.807
C3 C4 H10 114.807 C4 C2 H6 131.989
C4 C3 H7 114.807 C4 C3 H9 114.807
H7 C3 H9 108.635 H8 C4 H10 108.635

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