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Geometry for C6H10 (cyclohexene) 1A C2

1910171554
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2 INChIKey=HGCIXCUEYOPUTN-UHFFFAOYSA-N

HF/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0057 -0.6629 1.3034   1.2987 -0.1112 -0.6629
C2 0.0057 0.6629 1.3034   1.2996 -0.0999 0.6629
C3 0.0000 1.4994 0.0477   0.0475 -0.0039 1.4994
C4 0.0000 -1.4994 0.0477   0.0475 -0.0039 -1.4994
C5 -0.3716 0.6705 -1.1893   -1.2155 -0.2740 0.6705
C6 0.3716 -0.6705 -1.1893   -1.1553 0.4666 -0.6705
H7 -0.0188 -1.1938 2.2393   2.2304 -0.2000 -1.1938
H8 0.0188 1.1938 2.2393   2.2334 -0.1626 1.1938
H9 0.9807 1.9522 -0.0912   -0.0115 0.9848 1.9522
H10 -0.9807 -1.9522 -0.0912   -0.1703 -0.9701 -1.9522
H11 -0.6963 2.3254 0.1635   0.1066 -0.7073 2.3254
H12 0.6963 -2.3254 0.1635   0.2193 0.6808 -2.3254
H13 -1.4426 0.4847 -1.1895   -1.3024 -1.3416 0.4847
H14 1.4426 -0.4847 -1.1895   -1.0688 1.5342 -0.4847
H15 -0.1484 1.2285 -2.0929   -2.0980 0.0215 1.2285
H16 0.1484 -1.2285 -2.0929   -2.0740 0.3174 -1.2285
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.3259 2.5005 1.5089 2.8506 2.5212 1.0760 2.0794 3.1235 2.1349 3.2720 2.1345 3.0978 2.8886 3.8901 3.4465
C2 1.3259 1.5089 2.5005 2.5212 2.8506 2.0794 1.0760 2.1349 3.1235 2.1345 3.2720 2.8886 3.0978 3.4465 3.8901
C3 2.5005 1.5089 2.9988 1.5347 2.5253 3.4723 2.2129 1.0890 3.5909 1.0865 3.8894 2.1544 2.7475 2.1627 3.4707
C4 1.5089 2.5005 2.9988 2.5253 1.5347 2.2129 3.4723 3.5909 1.0890 3.8894 1.0865 2.7475 2.1544 3.4707 2.1627
C5 2.8506 2.5212 1.5347 2.5253 1.5332 3.9186 3.4902 2.1627 2.9079 2.1620 3.4563 1.0871 2.1508 1.0852 2.1664
C6 2.5212 2.8506 2.5253 1.5347 1.5332 3.4902 3.9186 2.9079 2.1627 3.4563 2.1620 2.1508 1.0871 2.1664 1.0852
H7 1.0760 2.0794 3.4723 2.2129 3.9186 3.4902 2.3880 4.0407 2.6327 4.1416 2.4699 4.0745 3.7941 4.9651 4.3355
H8 2.0794 1.0760 2.2129 3.4723 3.4902 3.9186 2.3880 2.6327 4.0407 2.4699 4.1416 3.7941 4.0745 4.3355 4.9651
H9 3.1235 2.1349 1.0890 3.5909 2.1627 2.9079 4.0407 2.6327 4.3693 1.7368 4.2946 3.0384 2.7126 2.4095 3.8492
H10 2.1349 3.1235 3.5909 1.0890 2.9079 2.1627 2.6327 4.0407 4.3693 4.2946 1.7368 2.7126 3.0384 3.8492 2.4095
H11 3.2720 2.1345 1.0865 3.8894 2.1620 3.4563 4.1416 2.4699 1.7368 4.2946 4.8548 2.4032 3.7818 2.5680 4.2936
H12 2.1345 3.2720 3.8894 1.0865 3.4563 2.1620 2.4699 4.1416 4.2946 1.7368 4.8548 3.7818 2.4032 4.2936 2.5680
H13 3.0978 2.8886 2.1544 2.7475 1.0871 2.1508 4.0745 3.7941 3.0384 2.7126 2.4032 3.7818 3.0437 1.7448 2.5065
H14 2.8886 3.0978 2.7475 2.1544 2.1508 1.0871 3.7941 4.0745 2.7126 3.0384 3.7818 2.4032 3.0437 2.5065 1.7448
H15 3.8901 3.4465 2.1627 3.4707 1.0852 2.1664 4.9651 4.3355 2.4095 3.8492 2.5680 4.2936 1.7448 2.5065 2.4749
H16 3.4465 3.8901 3.4707 2.1627 2.1664 1.0852 4.3355 4.9651 3.8492 2.4095 4.2936 2.5680 2.5065 1.7448 2.4749
Maximum atom distance is 4.9651Å between atoms H7 and H15.
picture of cyclohexene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.665 C1 C4 C6 111.858
C2 C1 C4 123.665 C2 C3 C5 111.858
C3 C5 C6 110.798 C4 C6 C5 110.798
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.571 C1 C4 H10 109.464
C1 C4 H12 109.581 C2 C1 H7 119.571
C2 C3 H9 109.464 C2 C3 H11 109.581
C3 C2 H8 116.763 C3 C5 H13 109.328
C3 C5 H15 110.099 C4 C1 H7 116.763
C4 C6 H14 109.328 C4 C6 H16 110.099
C5 C3 H9 109.865 C5 C3 H11 109.959
C5 C6 H14 109.149 C5 C6 H16 110.494
C6 C4 H10 109.865 C6 C4 H12 109.959
C6 C5 H13 109.149 C6 C5 H15 110.494
H9 C3 H11 105.940 H10 C4 H12 105.940
H13 C5 H15 106.879 H14 C6 H16 106.879

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