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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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2263 -0.3899 1.0885   -0.4390 1.0885 0.1026
C2 0.2263 -0.3899 -1.0885   -0.4390 -1.0885 0.1026
C3 -0.1058 0.6127 0.0000   0.6169 0.0000 0.0777
C4 0.2263 -1.4938 0.0000   -1.4947 0.0000 -0.2197
C5 -0.6036 1.8250 0.0000   1.9217 0.0000 -0.0444
H6 -0.4876 -0.4886 1.8948   -0.3249 1.8948 -0.6091
H7 -0.4876 -0.4886 -1.8948   -0.3249 -1.8948 -0.6091
H8 1.2090 -0.2245 1.5143   -0.5678 1.5143 1.0907
H9 1.2090 -0.2245 -1.5143   -0.5678 -1.5143 1.0907
H10 -0.8188 2.3425 0.9169   2.4795 0.9169 -0.0991
H11 -0.8188 2.3425 -0.9169   2.4795 -0.9169 -0.0991
H12 1.0661 -2.1738 0.0000   -2.3903 0.0000 0.3849
H13 -0.6886 -2.0700 0.0000   -1.7787 0.0000 -1.2631
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.1770 1.5167 1.5503 2.6037 1.0815 3.0691 1.0836 2.7870 2.9305 3.5468 2.2521 2.2011
C2 2.1770 1.5167 1.5503 2.6037 3.0691 1.0815 2.7870 1.0836 3.5468 2.9305 2.2521 2.2011
C3 1.5167 1.5167 2.1325 1.3105 2.2246 2.2246 2.1732 2.1732 2.0836 2.0836 3.0228 2.7453
C4 1.5503 1.5503 2.1325 3.4210 2.2606 2.2606 2.2067 2.2067 4.0805 4.0805 1.0805 1.0813
C5 2.6037 2.6037 1.3105 3.4210 2.9928 2.9928 3.1272 3.1272 1.0746 1.0746 4.3334 3.8960
H6 1.0815 3.0691 2.2246 2.2606 2.9928 3.7896 1.7587 3.8171 3.0135 4.0038 2.9739 2.4762
H7 3.0691 1.0815 2.2246 2.2606 2.9928 3.7896 3.8171 1.7587 4.0038 3.0135 2.9739 2.4762
H8 1.0836 2.7870 2.1732 2.2067 3.1272 1.7587 3.8171 3.0286 3.3255 4.0759 2.4724 3.0496
H9 2.7870 1.0836 2.1732 2.2067 3.1272 3.8171 1.7587 3.0286 4.0759 3.3255 2.4724 3.0496
H10 2.9305 3.5468 2.0836 4.0805 1.0746 3.0135 4.0038 3.3255 4.0759 1.8338 4.9790 4.5087
H11 3.5468 2.9305 2.0836 4.0805 1.0746 4.0038 3.0135 4.0759 3.3255 1.8338 4.9790 4.5087
H12 2.2521 2.2521 3.0228 1.0805 4.3334 2.9739 2.9739 2.4724 2.4724 4.9790 4.9790 1.7578
H13 2.2011 2.2011 2.7453 1.0813 3.8960 2.4762 2.4762 3.0496 3.0496 4.5087 4.5087 1.7578
Maximum atom distance is 4.9790Å 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 91.727 C1 C3 C5 134.002
C1 C4 C2 89.196 C2 C3 C5 134.002
C3 C1 C4 88.097 C3 C2 C4 88.097
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 116.622 C1 C4 H13 112.301
C2 C4 H12 116.622 C2 C4 H13 112.301
C3 C1 H6 116.797 C3 C1 H8 112.316
C3 C2 H7 116.797 C3 C2 H9 112.316
C3 C5 H10 121.435 C3 C5 H11 121.435
C4 C1 H6 117.291 C4 C1 H8 112.615
C4 C2 H7 117.291 C4 C2 H9 112.615
H6 C1 H8 108.639 H7 C2 H9 108.639
H10 C5 H11 117.129 H12 C4 H13 108.797

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