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Geometry for C5H8 (Cyclopentene) 1A' CS

1910171554
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2 INChIKey=LPIQUOYDBNQMRZ-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 0.2499 -1.2196 0.0000   -0.1112 -1.2145 0.2499
C2 -0.0643 -0.3267 1.2469   1.2119 -0.4390 -0.0643
C3 -0.0643 -0.3267 -1.2469   -1.2715 -0.2116 -0.0643
C4 -0.0643 1.0824 0.6729   0.7688 1.0166 -0.0643
C5 -0.0643 1.0824 -0.6729   -0.5714 1.1393 -0.0643
H6 1.3201 -1.4823 0.0000   -0.1352 -1.4761 1.3201
H7 -0.3158 -2.1637 0.0000   -0.1973 -2.1547 -0.3158
H8 -1.0516 -0.5668 1.6882   1.6295 -0.7184 -1.0516
H9 -1.0516 -0.5668 -1.6882   -1.7329 -0.4105 -1.0516
H10 -0.1008 1.9761 1.3015   1.4763 1.8492 -0.1008
H11 -0.1008 1.9761 -1.3015   -1.1159 2.0866 -0.1008
H12 0.6724 -0.4622 -2.0582   -2.0917 -0.2726 0.6724
H13 0.6724 -0.4622 2.0582   2.0074 -0.6480 0.6724
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5655 1.5655 2.4188 2.4188 1.1020 1.1006 2.2294 2.2294 3.4683 3.4683 2.2334 2.2334
C2 1.5655 2.4938 1.5215 2.3814 2.1924 2.2344 1.1078 3.1060 2.3037 3.4349 3.3889 1.1042
C3 1.5655 2.4938 2.3814 1.5215 2.1924 2.2344 3.1060 1.1078 3.4349 2.3037 1.1042 3.3889
C4 2.4188 1.5215 2.3814 1.3457 2.9912 3.3246 2.1738 3.0446 1.0933 2.1675 3.2229 2.2017
C5 2.4188 2.3814 1.5215 1.3457 2.9912 3.3246 3.0446 2.1738 2.1675 1.0933 2.2017 3.2229
H6 1.1020 2.1924 2.1924 2.9912 2.9912 1.7722 3.0518 3.0518 3.9590 3.9590 2.3866 2.3866
H7 1.1006 2.2344 2.2344 3.3246 3.3246 1.7722 2.4375 2.4375 4.3449 4.3449 2.8474 2.8474
H8 2.2294 1.1078 3.1060 2.1738 3.0446 3.0518 2.4375 3.3764 2.7422 4.0384 4.1253 1.7664
H9 2.2294 3.1060 1.1078 3.0446 2.1738 3.0518 2.4375 3.3764 4.0384 2.7422 1.7664 4.1253
H10 3.4683 2.3037 3.4349 1.0933 2.1675 3.9590 4.3449 2.7422 4.0384 2.6031 4.2226 2.6675
H11 3.4683 3.4349 2.3037 2.1675 1.0933 3.9590 4.3449 4.0384 2.7422 2.6031 2.6675 4.2226
H12 2.2334 3.3889 1.1042 3.2229 2.2017 2.3866 2.8474 4.1253 1.7664 4.2226 2.6675 4.1163
H13 2.2334 1.1042 3.3889 2.2017 3.2229 2.3866 2.8474 1.7664 4.1253 2.6675 4.2226 4.1163
Maximum atom distance is 4.3449Å between atoms H7 and H10.
picture of Cyclopentene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 103.165 C1 C3 C5 103.165
C2 C1 C3 105.591 C2 C4 C5 112.164
C3 C5 C4 112.164
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.873 C1 C2 H13 112.413
C1 C3 H9 111.873 C1 C3 H12 112.413
C2 C1 H6 109.321 C2 C1 H7 112.713
C2 C4 H10 122.691 C3 C1 H6 109.321
C3 C1 H7 112.713 C3 C5 H11 122.691
C4 C2 H8 110.550 C4 C2 H13 113.007
C4 C5 H11 125.102 C5 C3 H9 110.550
C5 C3 H12 113.007 C5 C4 H10 125.102
H6 C1 H7 107.140 H8 C2 H13 105.981
H9 C3 H12 105.981

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