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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

MP2/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6789 0.8312   0.8312 0.6789 0.0000
C2 0.0000 -0.6789 0.8312   0.8312 -0.6789 0.0000
C3 0.0000 0.8072 -0.7167   -0.7167 0.8072 0.0000
C4 0.0000 -0.8072 -0.7167   -0.7167 -0.8072 0.0000
H5 0.0000 1.4223 1.6174   1.6174 1.4223 0.0000
H6 0.0000 -1.4223 1.6174   1.6174 -1.4223 0.0000
H7 0.8984 1.2516 -1.1522   -1.1522 1.2516 0.8984
H8 -0.8984 -1.2516 -1.1522   -1.1522 -1.2516 -0.8984
H9 -0.8984 1.2516 -1.1522   -1.1522 1.2516 -0.8984
H10 0.8984 -1.2516 -1.1522   -1.1522 -1.2516 0.8984
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.3579 1.5532 2.1459 1.0820 2.2435 2.2514 2.9100 2.2514 2.9100
C2 1.3579 2.1459 1.5532 2.2435 1.0820 2.9100 2.2514 2.9100 2.2514
C3 1.5532 2.1459 1.6144 2.4138 3.2278 1.0928 2.2881 1.0928 2.2881
C4 2.1459 1.5532 1.6144 3.2278 2.4138 2.2881 1.0928 2.2881 1.0928
H5 1.0820 2.2435 2.4138 3.2278 2.8447 2.9166 3.9531 2.9166 3.9531
H6 2.2435 1.0820 3.2278 2.4138 2.8447 3.9531 2.9166 3.9531 2.9166
H7 2.2514 2.9100 1.0928 2.2881 2.9166 3.9531 3.0813 1.7969 2.5032
H8 2.9100 2.2514 2.2881 1.0928 3.9531 2.9166 3.0813 2.5032 1.7969
H9 2.2514 2.9100 1.0928 2.2881 2.9166 3.9531 1.7969 2.5032 3.0813
H10 2.9100 2.2514 2.2881 1.0928 3.9531 2.9166 2.5032 1.7969 3.0813
Maximum atom distance is 3.9531Å 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 94.737 C1 C3 C4 85.263
C2 C1 C3 94.737 C2 C4 C3 85.263
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 133.400 C1 C3 H7 115.510
C1 C3 H9 115.510 C2 C1 H5 133.400
C2 C4 H8 115.510 C2 C4 H10 115.510
C3 C1 H5 131.863 C3 C4 H8 113.993
C3 C4 H10 113.993 C4 C2 H6 131.863
C4 C3 H7 113.993 C4 C3 H9 113.993
H7 C3 H9 110.597 H8 C4 H10 110.597

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