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Geometry for C5H8 (Cyclobutane, methylene-) 1A' CS

1910171554
InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2 INChIKey=QIRVGKYPAOQVNP-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2225 -0.3953 1.0924   -0.4425 1.0924 0.0998
C2 0.2225 -0.3953 -1.0924   -0.4425 -1.0924 0.0998
C3 -0.0987 0.6120 0.0000   0.6146 0.0000 0.0809
C4 0.2225 -1.5016 0.0000   -1.5024 0.0000 -0.2174
C5 -0.5958 1.8442 0.0000   1.9376 0.0000 -0.0420
H6 -0.5058 -0.4898 1.9031   -0.3242 1.9031 -0.6250
H7 -0.5058 -0.4898 -1.9031   -0.3242 -1.9031 -0.6250
H8 1.2142 -0.2344 1.5292   -0.5727 1.5292 1.0960
H9 1.2142 -0.2344 -1.5292   -0.5727 -1.5292 1.0960
H10 -0.8106 2.3682 0.9281   2.5012 0.9281 -0.0975
H11 -0.8106 2.3682 -0.9281   2.5012 -0.9281 -0.0975
H12 1.0707 -2.1902 0.0000   -2.4052 0.0000 0.3977
H13 -0.7041 -2.0811 0.0000   -1.7918 0.0000 -1.2713
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.1848 1.5203 1.5548 2.6227 1.0939 3.0842 1.0955 2.8075 2.9549 3.5759 2.2659 2.2122
C2 2.1848 1.5203 1.5548 2.6227 3.0842 1.0939 2.8075 1.0955 3.5759 2.9549 2.2659 2.2122
C3 1.5203 1.5203 2.1379 1.3287 2.2364 2.2364 2.1860 2.1860 2.1100 2.1100 3.0364 2.7603
C4 1.5548 1.5548 2.1379 3.4445 2.2751 2.2751 2.2199 2.2199 4.1115 4.1115 1.0925 1.0929
C5 2.6227 2.6227 1.3287 3.4445 3.0129 3.0129 3.1520 3.1520 1.0872 1.0872 4.3650 3.9268
H6 1.0939 3.0842 2.2364 2.2751 3.0129 3.8062 1.7786 3.8476 3.0351 4.0344 2.9997 2.4886
H7 3.0842 1.0939 2.2364 2.2751 3.0129 3.8062 3.8476 1.7786 4.0344 3.0351 2.9997 2.4886
H8 1.0955 2.8075 2.1860 2.2199 3.1520 1.7786 3.8476 3.0584 3.3518 4.1124 2.4868 3.0707
H9 2.8075 1.0955 2.1860 2.2199 3.1520 3.8476 1.7786 3.0584 4.1124 3.3518 2.4868 3.0707
H10 2.9549 3.5759 2.1100 4.1115 1.0872 3.0351 4.0344 3.3518 4.1124 1.8562 5.0179 4.5463
H11 3.5759 2.9549 2.1100 4.1115 1.0872 4.0344 3.0351 4.1124 3.3518 1.8562 5.0179 4.5463
H12 2.2659 2.2659 3.0364 1.0925 4.3650 2.9997 2.9997 2.4868 2.4868 5.0179 5.0179 1.7782
H13 2.2122 2.2122 2.7603 1.0929 3.9268 2.4886 2.4886 3.0707 3.0707 4.5463 4.5463 1.7782
Maximum atom distance is 5.0179Å between atoms H10 and H12.
picture of Cyclobutane, methylene-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C2 91.871 C1 C3 C5 133.910
C1 C4 C2 89.277 C2 C3 C5 133.910
C3 C1 C4 88.086 C3 C2 C4 88.086
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 116.645 C1 C4 H13 112.164
C2 C4 H12 116.645 C2 C4 H13 112.164
C3 C1 H6 116.686 C3 C1 H8 112.357
C3 C2 H7 116.686 C3 C2 H9 112.357
C3 C5 H10 121.390 C3 C5 H11 121.390
C4 C1 H6 117.339 C4 C1 H8 112.623
C4 C2 H7 117.339 C4 C2 H9 112.623
H6 C1 H8 108.659 H7 C2 H9 108.659
H10 C5 H11 117.220 H12 C4 H13 108.911

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