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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/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1883 -0.4255 1.0991   -0.4471 1.0991 0.1286
C2 0.1883 -0.4255 -1.0991   -0.4471 -1.0991 0.1286
C3 0.0000 0.6257 0.0000   0.6199 0.0000 0.0851
C4 -0.0041 -1.5221 0.0000   -1.5074 0.0000 -0.2111
C5 -0.3718 1.9170 0.0000   1.9498 0.0000 -0.1075
H6 -0.5235 -0.4092 1.9233   -0.3341 1.9233 -0.5743
H7 -0.5235 -0.4092 -1.9233   -0.3341 -1.9233 -0.5743
H8 1.2010 -0.4206 1.5053   -0.5801 1.5053 1.1326
H9 1.2010 -0.4206 -1.5053   -0.5801 -1.5053 1.1326
H10 -0.5267 2.4573 0.9262   2.5061 0.9262 -0.1874
H11 -0.5267 2.4573 -0.9262   2.5061 -0.9262 -0.1874
H12 0.7091 -2.3451 0.0000   -2.4197 0.0000 0.3834
H13 -1.0148 -1.9282 0.0000   -1.7722 0.0000 -1.2678
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.1982 1.5325 1.5645 2.6474 1.0891 3.1051 1.0911 2.7944 2.9751 3.5949 2.2725 2.2167
C2 2.1982 1.5325 1.5645 2.6474 3.1051 1.0891 2.7944 1.0911 3.5949 2.9751 2.2725 2.2167
C3 1.5325 1.5325 2.1478 1.3438 2.2459 2.2459 2.1916 2.1916 2.1190 2.1190 3.0542 2.7482
C4 1.5645 1.5645 2.1478 3.4587 2.2820 2.2820 2.2207 2.2207 4.1190 4.1190 1.0890 1.0893
C5 2.6474 2.6474 1.3438 3.4587 3.0221 3.0221 3.1944 3.1944 1.0834 1.0834 4.3970 3.8986
H6 1.0891 3.1051 2.2459 2.2820 3.0221 3.8466 1.7745 3.8379 3.0349 4.0418 2.9943 2.4996
H7 3.1051 1.0891 2.2459 2.2820 3.0221 3.8466 3.8379 1.7745 4.0418 3.0349 2.9943 2.4996
H8 1.0911 2.7944 2.1916 2.2207 3.1944 1.7745 3.8379 3.0106 3.4063 4.1448 2.4923 3.0739
H9 2.7944 1.0911 2.1916 2.2207 3.1944 3.8379 1.7745 3.0106 4.1448 3.4063 2.4923 3.0739
H10 2.9751 3.5949 2.1190 4.1190 1.0834 3.0349 4.0418 3.4063 4.1448 1.8525 5.0446 4.5088
H11 3.5949 2.9751 2.1190 4.1190 1.0834 4.0418 3.0349 4.1448 3.4063 1.8525 5.0446 4.5088
H12 2.2725 2.2725 3.0542 1.0890 4.3970 2.9943 2.9943 2.4923 2.4923 5.0446 5.0446 1.7736
H13 2.2167 2.2167 2.7482 1.0893 3.8986 2.4996 2.4996 3.0739 3.0739 4.5088 4.5088 1.7736
Maximum atom distance is 5.0446Å 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 91.651 C1 C3 C5 133.880
C1 C4 C2 89.263 C2 C3 C5 133.880
C3 C1 C4 87.811 C3 C2 C4 87.811
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 116.693 C1 C4 H13 112.051
C2 C4 H12 116.693 C2 C4 H13 112.051
C3 C1 H6 116.883 C3 C1 H8 112.208
C3 C2 H7 116.883 C3 C2 H9 112.208
C3 C5 H10 121.250 C3 C5 H11 121.250
C4 C1 H6 117.501 C4 C1 H8 112.257
C4 C2 H7 117.501 C4 C2 H9 112.257
H6 C1 H8 108.954 H7 C2 H9 108.954
H10 C5 H11 117.500 H12 C4 H13 109.018

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