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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/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4330 1.1021   1.0959 -0.1170 0.4330
C2 0.0000 0.4330 -1.1021   -1.0959 0.1170 0.4330
C3 0.0001 -0.6305 0.0000   0.0000 0.0001 -0.6305
C4 -0.0001 1.5316 0.0000   -0.0000 -0.0001 1.5316
C5 0.0000 -1.9364 0.0000   0.0000 0.0000 -1.9364
H6 0.8841 0.4267 1.7370   1.8210 0.6947 0.4267
H7 0.8841 0.4267 -1.7370   -1.6333 1.0635 0.4267
H8 -0.8839 0.4265 1.7372   1.6335 -1.0633 0.4265
H9 -0.8839 0.4265 -1.7372   -1.8212 -0.6945 0.4265
H10 -0.0000 -2.5091 0.9169   0.9117 -0.0974 -2.5091
H11 -0.0000 -2.5091 -0.9169   -0.9117 0.0973 -2.5091
H12 -0.8840 2.1634 0.0000   -0.0938 -0.8790 2.1634
H13 0.8835 2.1638 0.0000   0.0938 0.8785 2.1638
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.2043 1.5316 1.5562 2.6132 1.0884 2.9736 1.0884 2.9737 2.9479 3.5683 2.2339 2.2340
C2 2.2043 1.5316 1.5562 2.6132 2.9736 1.0884 2.9737 1.0884 3.5683 2.9479 2.2339 2.2340
C3 1.5316 1.5316 2.1622 1.3059 2.2173 2.2173 2.2173 2.2173 2.0904 2.0904 2.9305 2.9306
C4 1.5562 1.5562 2.1622 3.4680 2.2405 2.2405 2.2406 2.2406 4.1435 4.1435 1.0864 1.0864
C5 2.6132 2.6132 1.3059 3.4680 3.0631 3.0631 3.0631 3.0631 1.0811 1.0811 4.1940 4.1943
H6 1.0884 2.9736 2.2173 2.2405 3.0631 3.4740 1.7680 3.8981 3.1738 4.0551 3.0264 2.4565
H7 2.9736 1.0884 2.2173 2.2405 3.0631 3.4740 3.8981 1.7680 4.0551 3.1738 3.0264 2.4565
H8 1.0884 2.9737 2.2173 2.2406 3.0631 1.7680 3.8981 3.4744 3.1736 4.0550 2.4565 3.0265
H9 2.9737 1.0884 2.2173 2.2406 3.0631 3.8981 1.7680 3.4744 4.0550 3.1736 2.4565 3.0265
H10 2.9479 3.5683 2.0904 4.1435 1.0811 3.1738 4.0551 3.1736 4.0550 1.8338 4.8430 4.8432
H11 3.5683 2.9479 2.0904 4.1435 1.0811 4.0551 3.1738 4.0550 3.1736 1.8338 4.8430 4.8432
H12 2.2339 2.2339 2.9305 1.0864 4.1940 3.0264 3.0264 2.4565 2.4565 4.8430 4.8430 1.7675
H13 2.2340 2.2340 2.9306 1.0864 4.1943 2.4565 2.4565 3.0265 3.0265 4.8432 4.8432 1.7675
Maximum atom distance is 4.8432Å between atoms H10 and H13.
picture of Cyclobutane, methylene-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C2 92.041 C1 C3 C5 133.980
C1 C4 C2 90.183 C2 C3 C5 133.980
C3 C1 C4 88.888 C3 C2 C4 88.888
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 114.242 C1 C4 H13 114.249
C2 C4 H12 114.242 C2 C4 H13 114.249
C3 C1 H6 114.560 C3 C1 H8 114.566
C3 C2 H7 114.560 C3 C2 H9 114.566
C3 C5 H10 121.988 C3 C5 H11 121.988
C4 C1 H6 114.663 C4 C1 H8 114.669
C4 C2 H7 114.663 C4 C2 H9 114.669
H6 C1 H8 108.619 H7 C2 H9 108.619
H10 C5 H11 116.023 H12 C4 H13 108.864

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