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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

CISD/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0062 -0.6701 1.3108   1.3060 -0.1124 -0.6701
C2 0.0062 0.6701 1.3108   1.3070 -0.1000 0.6701
C3 0.0000 1.5107 0.0461   0.0460 -0.0037 1.5107
C4 0.0000 -1.5107 0.0461   0.0460 -0.0037 -1.5107
C5 -0.3777 0.6721 -1.1942   -1.2209 -0.2798 0.6721
C6 0.3777 -0.6721 -1.1942   -1.1597 0.4732 -0.6721
H7 -0.0222 -1.2082 2.2550   2.2458 -0.2048 -1.2082
H8 0.0222 1.2082 2.2550   2.2494 -0.1606 1.2082
H9 0.9897 1.9656 -0.1003   -0.0198 0.9946 1.9656
H10 -0.9897 -1.9656 -0.1003   -0.1802 -0.9784 -1.9656
H11 -0.7037 2.3440 0.1614   0.1038 -0.7144 2.3440
H12 0.7037 -2.3440 0.1614   0.2178 0.6883 -2.3440
H13 -1.4573 0.4756 -1.1829   -1.2970 -1.3567 0.4756
H14 1.4573 -0.4756 -1.1829   -1.0609 1.5483 -0.4756
H15 -0.1636 1.2344 -2.1096   -2.1159 0.0079 1.2344
H16 0.1636 -1.2344 -2.1096   -2.0894 0.3339 -1.2344
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.3403 2.5210 1.5185 2.8661 2.5342 1.0869 2.1025 3.1513 2.1533 3.3004 2.1510 3.1043 2.8979 3.9180 3.4707
C2 1.3403 1.5185 2.5210 2.5342 2.8661 2.1025 1.0869 2.1533 3.1513 2.1510 3.3004 2.8979 3.1043 3.4707 3.9180
C3 2.5210 1.5185 3.0214 1.5441 2.5389 3.5031 2.2296 1.0991 3.6175 1.0967 3.9201 2.1692 2.7531 2.1795 3.4942
C4 1.5185 2.5210 3.0214 2.5389 1.5441 2.2296 3.5031 3.6175 1.0991 3.9201 1.0967 2.7531 2.1692 3.4942 2.1795
C5 2.8661 2.5342 1.5441 2.5389 1.5420 3.9445 3.5134 2.1771 2.9204 2.1769 3.4791 1.0973 2.1644 1.0954 2.1830
C6 2.5342 2.8661 2.5389 1.5441 1.5420 3.5134 3.9445 2.9204 2.1771 3.4791 2.1769 2.1644 1.0973 2.1830 1.0954
H7 1.0869 2.1025 3.5031 2.2296 3.9445 3.5134 2.4168 4.0798 2.6566 4.1792 2.4900 4.0882 3.8137 5.0035 4.3686
H8 2.1025 1.0869 2.2296 3.5031 3.5134 3.9445 2.4168 2.6566 4.0798 2.4900 4.1792 3.8137 4.0882 4.3686 5.0035
H9 3.1513 2.1533 1.0991 3.6175 2.1771 2.9204 4.0798 2.6566 4.4015 1.7548 4.3270 3.0626 2.7111 2.4294 3.8677
H10 2.1533 3.1513 3.6175 1.0991 2.9204 2.1771 2.6566 4.0798 4.4015 4.3270 1.7548 2.7111 3.0626 3.8677 2.4294
H11 3.3004 2.1510 1.0967 3.9201 2.1769 3.4791 4.1792 2.4900 1.7548 4.3270 4.8947 2.4219 3.7983 2.5846 4.3260
H12 2.1510 3.3004 3.9201 1.0967 3.4791 2.1769 2.4900 4.1792 4.3270 1.7548 4.8947 3.7983 2.4219 4.3260 2.5846
H13 3.1043 2.8979 2.1692 2.7531 1.0973 2.1644 4.0882 3.8137 3.0626 2.7111 2.4219 3.7983 3.0659 1.7630 2.5318
H14 2.8979 3.1043 2.7531 2.1692 2.1644 1.0973 3.8137 4.0882 2.7111 3.0626 3.7983 2.4219 3.0659 2.5318 1.7630
H15 3.9180 3.4707 2.1795 3.4942 1.0954 2.1830 5.0035 4.3686 2.4294 3.8677 2.5846 4.3260 1.7630 2.5318 2.4903
H16 3.4707 3.9180 3.4942 2.1795 2.1830 1.0954 4.3686 5.0035 3.8677 2.4294 4.3260 2.5846 2.5318 1.7630 2.4903
Maximum atom distance is 5.0035Å 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 123.607 C1 C4 C6 111.675
C2 C1 C4 123.607 C2 C3 C5 111.675
C3 C5 C6 110.707 C4 C6 C5 110.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.681 C1 C4 H10 109.659
C1 C4 H12 109.616 C2 C1 H7 119.681
C2 C3 H9 109.659 C2 C3 H11 109.616
C3 C2 H8 116.713 C3 C5 H13 109.245
C3 C5 H15 110.162 C4 C1 H7 116.713
C4 C6 H14 109.245 C4 C6 H16 110.162
C5 C3 H9 109.756 C5 C3 H11 109.881
C5 C6 H14 109.019 C5 C6 H16 110.589
C6 C4 H10 109.756 C6 C4 H12 109.881
C6 C5 H13 109.019 C6 C5 H15 110.589
H9 C3 H11 106.098 H10 C4 H12 106.098
H13 C5 H15 107.030 H14 C6 H16 107.030

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