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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

QCISD/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0043 -0.6727 1.3196   1.3153 -0.1074 -0.6727
C2 0.0043 0.6727 1.3196   1.3159 -0.0988 0.6727
C3 0.0000 1.5198 0.0420   0.0419 -0.0033 1.5198
C4 0.0000 -1.5198 0.0420   0.0419 -0.0033 -1.5198
C5 -0.3973 0.6683 -1.2001   -1.2275 -0.3023 0.6683
C6 0.3973 -0.6683 -1.2001   -1.1654 0.4899 -0.6683
H7 -0.0223 -1.2174 2.2665   2.2578 -0.1993 -1.2174
H8 0.0223 1.2174 2.2665   2.2613 -0.1549 1.2174
H9 1.0025 1.9527 -0.1165   -0.0378 1.0085 1.9527
H10 -1.0025 -1.9527 -0.1165   -0.1945 -0.9903 -1.9527
H11 -0.7030 2.3599 0.1609   0.1054 -0.7134 2.3599
H12 0.7030 -2.3599 0.1609   0.2153 0.6882 -2.3599
H13 -1.4750 0.4440 -1.1566   -1.2684 -1.3801 0.4440
H14 1.4750 -0.4440 -1.1566   -1.0379 1.5609 -0.4440
H15 -0.2039 1.2355 -2.1234   -2.1328 -0.0373 1.2355
H16 0.2039 -1.2355 -2.1234   -2.1010 0.3692 -1.2355
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.3455 2.5376 1.5329 2.8813 2.5515 1.0925 2.1142 3.1574 2.1673 3.3208 2.1655 3.0890 2.8935 3.9415 3.4949
C2 1.3455 1.5329 2.5376 2.5515 2.8813 2.1142 1.0925 2.1673 3.1574 2.1655 3.3208 2.8935 3.0890 3.4949 3.9415
C3 2.5376 1.5329 3.0396 1.5574 2.5473 3.5272 2.2450 1.1034 3.6178 1.1018 3.9447 2.1839 2.7329 2.1935 3.5103
C4 1.5329 2.5376 3.0396 2.5473 1.5574 2.2450 3.5272 3.6178 1.1034 3.9447 1.1018 2.7329 2.1839 3.5103 2.1935
C5 2.8813 2.5515 1.5574 2.5473 1.5550 3.9640 3.5348 2.1871 2.9001 2.1925 3.4976 1.1016 2.1783 1.1007 2.1997
C6 2.5515 2.8813 2.5473 1.5574 1.5550 3.5348 3.9640 2.9001 2.1871 3.4976 2.1925 2.1783 1.1016 2.1997 1.1007
H7 1.0925 2.1142 3.5272 2.2450 3.9640 3.5348 2.4353 4.0962 2.6795 4.2064 2.5030 4.0729 3.8154 5.0320 4.3957
H8 2.1142 1.0925 2.2450 3.5272 3.5348 3.9640 2.4353 2.6795 4.0962 2.5030 4.2064 3.8154 4.0729 4.3957 5.0320
H9 3.1574 2.1673 1.1034 3.6178 2.1871 2.9001 4.0962 2.6795 4.3901 1.7752 4.3319 3.0815 2.6551 2.4489 3.8510
H10 2.1673 3.1574 3.6178 1.1034 2.9001 2.1871 2.6795 4.0962 4.3901 4.3319 1.7752 2.6551 3.0815 3.8510 2.4489
H11 3.3208 2.1655 1.1018 3.9447 2.1925 3.4976 4.2064 2.5030 1.7752 4.3319 4.9248 2.4500 3.7870 2.5944 4.3552
H12 2.1655 3.3208 3.9447 1.1018 3.4976 2.1925 2.5030 4.2064 4.3319 1.7752 4.9248 3.7870 2.4500 4.3552 2.5944
H13 3.0890 2.8935 2.1839 2.7329 1.1016 2.1783 4.0729 3.8154 3.0815 2.6551 2.4500 3.7870 3.0807 1.7824 2.5640
H14 2.8935 3.0890 2.7329 2.1839 2.1783 1.1016 3.8154 4.0729 2.6551 3.0815 3.7870 2.4500 3.0807 2.5640 1.7824
H15 3.9415 3.4949 2.1935 3.5103 1.1007 2.1997 5.0320 4.3957 2.4489 3.8510 2.5944 4.3552 1.7824 2.5640 2.5045
H16 3.4949 3.9415 3.5103 2.1935 2.1997 1.1007 4.3957 5.0320 3.8510 2.4489 4.3552 2.5944 2.5640 1.7824 2.5045
Maximum atom distance is 5.0320Å 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 123.542 C1 C4 C6 111.304
C2 C1 C4 123.542 C2 C3 C5 111.304
C3 C5 C6 109.850 C4 C6 C5 109.850
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.913 C1 C4 H10 109.511
C1 C4 H12 109.464 C2 C1 H7 119.913
C2 C3 H9 109.511 C2 C3 H11 109.464
C3 C2 H8 116.543 C3 C5 H13 109.235
C3 C5 H15 110.024 C4 C1 H7 116.543
C4 C6 H14 109.235 C4 C6 H16 110.024
C5 C3 H9 109.373 C5 C3 H11 109.884
C5 C6 H14 108.958 C5 C6 H16 110.679
C6 C4 H10 109.373 C6 C4 H12 109.884
C6 C5 H13 108.958 C6 C5 H15 110.679
H9 C3 H11 107.215 H10 C4 H12 107.215
H13 C5 H15 108.054 H14 C6 H16 108.054

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