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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/Def2TZVPP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1175 -0.6465 1.2988   -0.6545 1.2988 -0.0581
C2 0.1175 0.6465 1.2988   0.6545 1.2988 0.0581
C3 0.2528 1.4684 0.0454   1.4853 0.0454 0.1179
C4 -0.2528 -1.4684 0.0454   -1.4853 0.0454 -0.1179
C5 -0.2528 0.7194 -1.1856   0.6934 -1.1856 -0.3173
C6 0.2528 -0.7194 -1.1856   -0.6934 -1.1856 0.3173
H7 -0.2218 -1.1571 2.2389   -1.1725 2.2389 -0.1155
H8 0.2218 1.1571 2.2389   1.1725 2.2389 0.1155
H9 1.2960 1.7448 -0.0902   1.8556 -0.0902 1.1316
H10 -1.2960 -1.7448 -0.0902   -1.8556 -0.0902 -1.1316
H11 -0.2861 2.4027 0.1648   2.3666 0.1648 -0.5039
H12 0.2861 -2.4027 0.1648   -2.3666 0.1648 0.5039
H13 -1.3387 0.7124 -1.1747   0.5875 -1.1747 -1.3981
H14 1.3387 -0.7124 -1.1747   -0.5875 -1.1747 1.3981
H15 0.0480 1.2353 -2.0902   1.2345 -2.0902 -0.0648
H16 -0.0480 -1.2353 -2.0902   -1.2345 -2.0902 0.0648
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.3141 2.4861 1.5049 2.8383 2.5129 1.0749 2.0619 3.1056 2.1270 3.2576 2.1291 3.0751 2.8710 3.8799 3.4405
C2 1.3141 1.5049 2.4861 2.5129 2.8383 2.0619 1.0749 2.1270 3.1056 2.1291 3.2576 2.8710 3.0751 3.4405 3.8799
C3 2.4861 1.5049 2.9800 1.5271 2.5104 3.4539 2.2157 1.0876 3.5695 1.0852 3.8731 2.1432 2.7247 2.1580 3.4585
C4 1.5049 2.4861 2.9800 2.5104 1.5271 2.2157 3.4539 3.5695 1.0876 3.8731 1.0852 2.7247 2.1432 3.4585 2.1580
C5 2.8383 2.5129 1.5271 2.5104 1.5251 3.9050 3.4848 2.1564 2.8914 2.1583 3.4441 1.0860 2.1409 1.0839 2.1636
C6 2.5129 2.8383 2.5104 1.5271 1.5251 3.4848 3.9050 2.8914 2.1564 3.4441 2.1583 2.1409 1.0860 2.1636 1.0839
H7 1.0749 2.0619 3.4539 2.2157 3.9050 3.4848 2.3563 4.0186 2.6313 4.1204 2.4721 4.0490 3.7796 4.9535 4.3333
H8 2.0619 1.0749 2.2157 3.4539 3.4848 3.9050 2.3563 2.6313 4.0186 2.4721 4.1204 3.7796 4.0490 4.3333 4.9535
H9 3.1056 2.1270 1.0876 3.5695 2.1564 2.8914 4.0186 2.6313 4.3468 1.7324 4.2763 3.0305 2.6862 2.4119 3.8324
H10 2.1270 3.1056 3.5695 1.0876 2.8914 2.1564 2.6313 4.0186 4.3468 4.2763 1.7324 2.6862 3.0305 3.8324 2.4119
H11 3.2576 2.1291 1.0852 3.8731 2.1583 3.4441 4.1204 2.4721 1.7324 4.2763 4.8394 2.3999 3.7601 2.5612 4.2869
H12 2.1291 3.2576 3.8731 1.0852 3.4441 2.1583 2.4721 4.1204 4.2763 1.7324 4.8394 3.7601 2.3999 4.2869 2.5612
H13 3.0751 2.8710 2.1432 2.7247 1.0860 2.1409 4.0490 3.7796 3.0305 2.6862 2.3999 3.7601 3.0330 1.7420 2.5096
H14 2.8710 3.0751 2.7247 2.1432 2.1409 1.0860 3.7796 4.0490 2.6862 3.0305 3.7601 2.3999 3.0330 2.5096 1.7420
H15 3.8799 3.4405 2.1580 3.4585 1.0839 2.1636 4.9535 4.3333 2.4119 3.8324 2.5612 4.2869 1.7420 2.5096 2.4725
H16 3.4405 3.8799 3.4585 2.1580 2.1636 1.0839 4.3333 4.9535 3.8324 2.4119 4.2869 2.5612 2.5096 1.7420 2.4725
Maximum atom distance is 4.9535Å 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 123.604 C1 C4 C6 111.944
C2 C1 C4 123.604 C2 C3 C5 111.944
C3 C5 C6 110.668 C4 C6 C5 110.668
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 118.995 C1 C4 H10 109.198
C1 C4 H12 109.507 C2 C1 H7 118.995
C2 C3 H9 109.198 C2 C3 H11 109.507
C3 C2 H8 117.401 C3 C5 H13 109.031
C3 C5 H15 110.329 C4 C1 H7 117.401
C4 C6 H14 109.031 C4 C6 H16 110.329
C5 C3 H9 109.980 C5 C3 H11 110.276
C5 C6 H14 108.994 C5 C6 H16 110.918
C6 C4 H10 109.980 C6 C4 H12 110.276
C6 C5 H13 108.994 C6 C5 H15 110.918
H9 C3 H11 105.742 H10 C4 H12 105.742
H13 C5 H15 106.797 H14 C6 H16 106.797

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