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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

TPSSh/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6715 0.8139   0.8139 0.6715 0.0000
C2 0.0000 -0.6715 0.8139   0.8139 -0.6715 0.0000
C3 0.0000 0.7842 -0.6987   -0.6987 0.7842 0.0000
C4 0.0000 -0.7842 -0.6987   -0.6987 -0.7842 0.0000
H5 0.0000 1.4221 1.6006   1.6006 1.4221 0.0000
H6 0.0000 -1.4221 1.6006   1.6006 -1.4221 0.0000
H7 0.8905 1.2434 -1.1458   -1.1458 1.2434 0.8905
H8 -0.8905 -1.2434 -1.1458   -1.1458 -1.2434 -0.8905
H9 -0.8905 1.2434 -1.1458   -1.1458 1.2434 -0.8905
H10 0.8905 -1.2434 -1.1458   -1.1458 -1.2434 0.8905
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.3429 1.5168 2.0993 1.0873 2.2365 2.2272 2.8810 2.2272 2.8810
C2 1.3429 2.0993 1.5168 2.2365 1.0873 2.8810 2.2272 2.8810 2.2272
C3 1.5168 2.0993 1.5684 2.3861 3.1866 1.0971 2.2592 1.0971 2.2592
C4 2.0993 1.5168 1.5684 3.1866 2.3861 2.2592 1.0971 2.2592 1.0971
H5 1.0873 2.2365 2.3861 3.1866 2.8443 2.8926 3.9294 2.8926 3.9294
H6 2.2365 1.0873 3.1866 2.3861 2.8443 3.9294 2.8926 3.9294 2.8926
H7 2.2272 2.8810 1.0971 2.2592 2.8926 3.9294 3.0587 1.7810 2.4867
H8 2.8810 2.2272 2.2592 1.0971 3.9294 2.8926 3.0587 2.4867 1.7810
H9 2.2272 2.8810 1.0971 2.2592 2.8926 3.9294 1.7810 2.4867 3.0587
H10 2.8810 2.2272 2.2592 1.0971 3.9294 2.8926 2.4867 1.7810 3.0587
Maximum atom distance is 3.9294Å 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 94.262 C1 C3 C4 85.738
C2 C1 C3 94.262 C2 C4 C3 85.738
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 133.658 C1 C3 H7 115.941
C1 C3 H9 115.941 C2 C1 H5 133.658
C2 C4 H8 115.941 C2 C4 H10 115.941
C3 C1 H5 132.079 C3 C4 H8 114.740
C3 C4 H10 114.740 C4 C2 H6 132.079
C4 C3 H7 114.740 C4 C3 H9 114.740
H7 C3 H9 108.521 H8 C4 H10 108.521

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