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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

BLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1610 -0.4267 1.1032   1.1049 0.1491 -0.4267
C2 0.1610 -0.4267 -1.1032   -1.1014 0.1728 -0.4267
C3 0.0000 0.6279 0.0000   0.0000 0.0000 0.6279
C4 -0.0110 -1.5339 0.0000   -0.0001 -0.0110 -1.5339
C5 -0.3123 1.9298 0.0000   -0.0034 -0.3123 1.9298
H6 -0.5728 -0.4091 1.9253   1.9190 -0.5935 -0.4091
H7 -0.5728 -0.4091 -1.9253   -1.9313 -0.5521 -0.4091
H8 1.1713 -0.4294 1.5491   1.5616 1.1546 -0.4294
H9 1.1713 -0.4294 -1.5491   -1.5365 1.1878 -0.4294
H10 -0.4466 2.4874 0.9314   0.9265 -0.4566 2.4874
H11 -0.4466 2.4874 -0.9314   -0.9361 -0.4366 2.4874
H12 0.7257 -2.3505 0.0000   0.0078 0.7257 -2.3505
H13 -1.0214 -1.9690 0.0000   -0.0110 -1.0214 -1.9690
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.2064 1.5346 1.5724 2.6447 1.1021 3.1162 1.1043 2.8382 2.9818 3.6057 2.2885 2.2347
C2 2.2064 1.5346 1.5724 2.6447 3.1162 1.1021 2.8382 1.1043 3.6057 2.9818 2.2885 2.2347
C3 1.5346 1.5346 2.1618 1.3389 2.2606 2.2606 2.2112 2.2112 2.1272 2.1272 3.0655 2.7905
C4 1.5724 1.5724 2.1618 3.4768 2.2994 2.2994 2.2400 2.2400 4.1507 4.1507 1.0998 1.1001
C5 2.6447 2.6447 1.3389 3.4768 3.0406 3.0406 3.1885 3.1885 1.0938 1.0938 4.4044 3.9627
H6 1.1021 3.1162 2.2606 2.2994 3.0406 3.8505 1.7843 3.8876 3.0649 4.0702 3.0269 2.5181
H7 3.1162 1.1021 2.2606 2.2994 3.0406 3.8505 3.8876 1.7843 4.0702 3.0649 3.0269 2.5181
H8 1.1043 2.8382 2.2112 2.2400 3.1885 1.7843 3.8876 3.0983 3.3922 4.1567 2.5078 3.0948
H9 2.8382 1.1043 2.2112 2.2400 3.1885 3.8876 1.7843 3.0983 4.1567 3.3922 2.5078 3.0948
H10 2.9818 3.6057 2.1272 4.1507 1.0938 3.0649 4.0702 3.3922 4.1567 1.8628 5.0644 4.5888
H11 3.6057 2.9818 2.1272 4.1507 1.0938 4.0702 3.0649 4.1567 3.3922 1.8628 5.0644 4.5888
H12 2.2885 2.2885 3.0655 1.0998 4.4044 3.0269 3.0269 2.5078 2.5078 5.0644 5.0644 1.7883
H13 2.2347 2.2347 2.7905 1.1001 3.9627 2.5181 2.5181 3.0948 3.0948 4.5888 4.5888 1.7883
Maximum atom distance is 5.0644Å 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 91.922 C1 C3 C5 133.844
C1 C4 C2 89.109 C2 C3 C5 133.844
C3 C1 C4 88.169 C3 C2 C4 88.169
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 116.714 C1 C4 H13 112.268
C2 C4 H12 116.714 C2 C4 H13 112.268
C3 C1 H6 117.090 C3 C1 H8 112.825
C3 C2 H7 117.090 C3 C2 H9 112.825
C3 C5 H10 121.626 C3 C5 H11 121.626
C4 C1 H6 117.498 C4 C1 H8 112.437
C4 C2 H7 117.498 C4 C2 H9 112.437
H6 C1 H8 107.938 H7 C2 H9 107.938
H10 C5 H11 116.748 H12 C4 H13 108.762

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