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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

HSEh1PBE/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6704 0.8107   0.8107 0.6704 0.0000
C2 0.0000 -0.6704 0.8107   0.8107 -0.6704 0.0000
C3 0.0000 0.7811 -0.6964   -0.6964 0.7811 0.0000
C4 0.0000 -0.7811 -0.6964   -0.6964 -0.7811 0.0000
H5 0.0000 1.4196 1.5975   1.5975 1.4196 0.0000
H6 0.0000 -1.4196 1.5975   1.5975 -1.4196 0.0000
H7 0.8899 1.2408 -1.1417   -1.1417 1.2408 0.8899
H8 -0.8899 -1.2408 -1.1417   -1.1417 -1.2408 -0.8899
H9 -0.8899 1.2408 -1.1417   -1.1417 1.2408 -0.8899
H10 0.8899 -1.2408 -1.1417   -1.1417 -1.2408 0.8899
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.3408 1.5112 2.0925 1.0864 2.2332 2.2202 2.8734 2.2202 2.8734
C2 1.3408 2.0925 1.5112 2.2332 1.0864 2.8734 2.2202 2.8734 2.2202
C3 1.5112 2.0925 1.5623 2.3811 3.1789 1.0961 2.2535 1.0961 2.2535
C4 2.0925 1.5112 1.5623 3.1789 2.3811 2.2535 1.0961 2.2535 1.0961
H5 1.0864 2.2332 2.3811 3.1789 2.8391 2.8857 3.9208 2.8857 3.9208
H6 2.2332 1.0864 3.1789 2.3811 2.8391 3.9208 2.8857 3.9208 2.8857
H7 2.2202 2.8734 1.0961 2.2535 2.8857 3.9208 3.0538 1.7798 2.4815
H8 2.8734 2.2202 2.2535 1.0961 3.9208 2.8857 3.0538 2.4815 1.7798
H9 2.2202 2.8734 1.0961 2.2535 2.8857 3.9208 1.7798 2.4815 3.0538
H10 2.8734 2.2202 2.2535 1.0961 3.9208 2.8857 2.4815 1.7798 3.0538
Maximum atom distance is 3.9208Å 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 94.202 C1 C3 C4 85.798
C2 C1 C3 94.202 C2 C4 C3 85.798
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 133.596 C1 C3 H7 115.843
C1 C3 H9 115.843 C2 C1 H5 133.596
C2 C4 H8 115.843 C2 C4 H10 115.843
C3 C1 H5 132.201 C3 C4 H8 114.791
C3 C4 H10 114.791 C4 C2 H6 132.201
C4 C3 H7 114.791 C4 C3 H9 114.791
H7 C3 H9 108.557 H8 C4 H10 108.557

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