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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

B3PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0930 -0.4310 1.1096   1.1128 -0.0384 -0.4310
C2 0.0930 -0.4310 -1.1096   -1.0909 0.2231 -0.4310
C3 0.0000 0.6292 0.0000   0.0000 0.0000 0.6292
C4 -0.0213 -1.5450 0.0000   -0.0025 -0.0211 -1.5450
C5 -0.1665 1.9437 0.0000   -0.0196 -0.1654 1.9437
H6 -0.7113 -0.4118 1.8509   1.7542 -0.9244 -0.4118
H7 -0.7113 -0.4118 -1.8509   -1.9218 -0.4882 -0.4118
H8 1.0656 -0.4307 1.6146   1.7289 0.8679 -0.4307
H9 1.0656 -0.4307 -1.6146   -1.4778 1.2484 -0.4307
H10 -0.2389 2.5076 0.9266   0.8920 -0.3464 2.5076
H11 -0.2389 2.5076 -0.9266   -0.9483 -0.1281 2.5076
H12 0.7769 -2.2897 0.0000   0.0915 0.7715 -2.2897
H13 -0.9971 -2.0362 0.0000   -0.1175 -0.9902 -2.0362
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.2191 1.5375 1.5764 2.6340 1.0940 3.0678 1.0959 2.8926 2.9630 3.5905 2.2702 2.2352
C2 2.2191 1.5375 1.5764 2.6340 3.0678 1.0940 2.8926 1.0959 3.5905 2.9630 2.2702 2.2352
C3 1.5375 1.5375 2.1743 1.3250 2.2395 2.2395 2.2058 2.2058 2.1081 2.1081 3.0205 2.8458
C4 1.5764 1.5764 2.1743 3.4917 2.2773 2.2773 2.2427 2.2427 4.1629 4.1629 1.0917 1.0925
C5 2.6340 2.6340 1.3250 3.4917 3.0448 3.0448 3.1245 3.1245 1.0871 1.0871 4.3373 4.0657
H6 1.0940 3.0678 2.2395 2.2773 3.0448 3.7018 1.7926 3.8945 3.0984 4.0571 3.0277 2.4792
H7 3.0678 1.0940 2.2395 2.2773 3.0448 3.7018 3.8945 1.7926 4.0571 3.0984 3.0277 2.4792
H8 1.0959 2.8926 2.2058 2.2427 3.1245 1.7926 3.8945 3.2292 3.2876 4.0979 2.4792 3.0724
H9 2.8926 1.0959 2.2058 2.2427 3.1245 3.8945 1.7926 3.2292 4.0979 3.2876 2.4792 3.0724
H10 2.9630 3.5905 2.1081 4.1629 1.0871 3.0984 4.0571 3.2876 4.0979 1.8531 4.9905 4.6989
H11 3.5905 2.9630 2.1081 4.1629 1.0871 4.0571 3.0984 4.0979 3.2876 1.8531 4.9905 4.6989
H12 2.2702 2.2702 3.0205 1.0917 4.3373 3.0277 3.0277 2.4792 2.4792 4.9905 4.9905 1.7921
H13 2.2352 2.2352 2.8458 1.0925 4.0657 2.4792 2.4792 3.0724 3.0724 4.6989 4.6989 1.7921
Maximum atom distance is 4.9905Å 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 92.387 C1 C3 C5 133.766
C1 C4 C2 89.473 C2 C3 C5 133.766
C3 C1 C4 88.564 C3 C2 C4 88.564
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 115.406 C1 C4 H13 112.490
C2 C4 H12 115.406 C2 C4 H13 112.490
C3 C1 H6 115.622 C3 C1 H8 112.711
C3 C2 H7 115.622 C3 C2 H9 112.711
C3 C5 H10 121.533 C3 C5 H11 121.533
C4 C1 H6 115.853 C4 C1 H8 112.889
C4 C2 H7 115.853 C4 C2 H9 112.889
H6 C1 H8 109.886 H7 C2 H9 109.886
H10 C5 H11 116.934 H12 C4 H13 110.264

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