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Geometry for C7H12 (Norbornane) 1A1 C2V

1910171554
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2 INChIKey=UMRZSTCPUPJPOJ-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3849   0.0000 0.0000 1.3849
C2 0.0000 1.1307 0.3393   0.0000 1.1307 0.3393
C3 0.0000 -1.1307 0.3393   0.0000 -1.1307 0.3393
C4 1.2508 0.7803 -0.4923   1.2508 0.7803 -0.4923
C5 -1.2508 0.7803 -0.4923   -1.2508 0.7803 -0.4923
C6 -1.2508 -0.7803 -0.4923   -1.2508 -0.7803 -0.4923
C7 1.2508 -0.7803 -0.4923   1.2508 -0.7803 -0.4923
H8 -0.8940 0.0000 2.0235   -0.8940 0.0000 2.0235
H9 0.8940 0.0000 2.0235   0.8940 0.0000 2.0235
H10 0.0000 2.1555 0.7301   0.0000 2.1555 0.7301
H11 0.0000 -2.1555 0.7301   0.0000 -2.1555 0.7301
H12 2.1578 1.1748 -0.0148   2.1578 1.1748 -0.0148
H13 -2.1578 -1.1748 -0.0148   -2.1578 -1.1748 -0.0148
H14 2.1578 -1.1748 -0.0148   2.1578 -1.1748 -0.0148
H15 -2.1578 1.1748 -0.0148   -2.1578 1.1748 -0.0148
H16 1.2030 -1.2052 -1.5035   1.2030 -1.2052 -1.5035
H17 -1.2030 1.2052 -1.5035   -1.2030 1.2052 -1.5035
H18 1.2030 1.2052 -1.5035   1.2030 1.2052 -1.5035
H19 -1.2030 -1.2052 -1.5035   -1.2030 -1.2052 -1.5035
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5400 1.5400 2.3869 2.3869 2.3869 2.3869 1.0987 1.0987 2.2527 2.2527 2.8276 2.8276 2.8276 2.8276 3.3529 3.3529 3.3529 3.3529
C2 1.5400 2.2614 1.5424 1.5424 2.4306 2.4306 2.2168 2.2168 1.0968 3.3093 2.1871 3.1775 3.1775 2.1871 3.2093 2.2019 2.2019 3.2093
C3 1.5400 2.2614 2.4306 2.4306 1.5424 1.5424 2.2168 2.2168 3.3093 1.0968 3.1775 2.1871 2.1871 3.1775 2.2019 3.2093 3.2093 2.2019
C4 2.3869 1.5424 2.4306 2.5016 2.9485 1.5606 3.3968 2.6580 2.2249 3.4172 1.0982 3.9583 2.2074 3.4644 2.2287 2.6878 1.0979 3.3145
C5 2.3869 1.5424 2.4306 2.5016 1.5606 2.9485 2.6580 3.3968 2.2249 3.4172 3.4644 2.2074 3.9583 1.0982 3.3145 1.0979 2.6878 2.2287
C6 2.3869 2.4306 1.5424 2.9485 1.5606 2.5016 2.6580 3.3968 3.4172 2.2249 3.9583 1.0982 3.4644 2.2074 2.6878 2.2287 3.3145 1.0979
C7 2.3869 2.4306 1.5424 1.5606 2.9485 2.5016 3.3968 2.6580 3.4172 2.2249 2.2074 3.4644 1.0982 3.9583 1.0979 3.3145 2.2287 2.6878
H8 1.0987 2.2168 2.2168 3.3968 2.6580 2.6580 3.3968 1.7881 2.6680 2.6680 3.8533 2.6705 3.8533 2.6705 4.2766 3.7399 4.2766 3.7399
H9 1.0987 2.2168 2.2168 2.6580 3.3968 3.3968 2.6580 1.7881 2.6680 2.6680 2.6705 3.8533 2.6705 3.8533 3.7399 4.2766 3.7399 4.2766
H10 2.2527 1.0968 3.3093 2.2249 2.2249 3.4172 3.4172 2.6680 2.6680 4.3109 2.4845 4.0375 4.0375 2.4845 4.2108 2.7091 2.7091 4.2108
H11 2.2527 3.3093 1.0968 3.4172 3.4172 2.2249 2.2249 2.6680 2.6680 4.3109 4.0375 2.4845 2.4845 4.0375 2.7091 4.2108 4.2108 2.7091
H12 2.8276 2.1871 3.1775 1.0982 3.4644 3.9583 2.2074 3.8533 2.6705 2.4845 4.0375 4.9136 2.3495 4.3155 2.9651 3.6758 1.7687 4.3789
H13 2.8276 3.1775 2.1871 3.9583 2.2074 1.0982 3.4644 2.6705 3.8533 4.0375 2.4845 4.9136 4.3155 2.3495 3.6758 2.9651 4.3789 1.7687
H14 2.8276 3.1775 2.1871 2.2074 3.9583 3.4644 1.0982 3.8533 2.6705 4.0375 2.4845 2.3495 4.3155 4.9136 1.7687 4.3789 2.9651 3.6758
H15 2.8276 2.1871 3.1775 3.4644 1.0982 2.2074 3.9583 2.6705 3.8533 2.4845 4.0375 4.3155 2.3495 4.9136 4.3789 1.7687 3.6758 2.9651
H16 3.3529 3.2093 2.2019 2.2287 3.3145 2.6878 1.0979 4.2766 3.7399 4.2108 2.7091 2.9651 3.6758 1.7687 4.3789 3.4058 2.4105 2.4060
H17 3.3529 2.2019 3.2093 2.6878 1.0979 2.2287 3.3145 3.7399 4.2766 2.7091 4.2108 3.6758 2.9651 4.3789 1.7687 3.4058 2.4060 2.4105
H18 3.3529 2.2019 3.2093 1.0979 2.6878 3.3145 2.2287 4.2766 3.7399 2.7091 4.2108 1.7687 4.3789 2.9651 3.6758 2.4105 2.4060 3.4058
H19 3.3529 3.2093 2.2019 3.3145 2.2287 1.0979 2.6878 3.7399 4.2766 4.2108 2.7091 4.3789 1.7687 3.6758 2.9651 2.4060 2.4105 3.4058
Maximum atom distance is 4.9136Å between atoms H12 and H13.
picture of Norbornane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 101.493 C1 C2 C5 101.493
C1 C3 C6 101.493 C1 C3 C7 101.493
C2 C1 C3 94.482 C2 C4 C7 103.132
C2 C5 C6 103.132 C3 C6 C5 103.132
C3 C7 C4 103.132 C4 C2 C5 108.380
C6 C3 C7 108.380
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.366 C1 C3 H11 116.366
C2 C1 H8 113.242 C2 C1 H9 113.242
C2 C4 H12 110.714 C2 C4 H18 111.922
C2 C5 H15 110.714 C2 C5 H17 111.922
C3 C1 H8 113.242 C3 C1 H9 113.242
C3 C6 H13 110.714 C3 C6 H19 111.922
C3 C7 H14 110.714 C3 C7 H16 111.922
C4 C2 H10 113.854 C4 C7 H14 111.050
C4 C7 H16 112.773 C5 C2 H10 113.854
C5 C6 H13 111.050 C5 C6 H19 112.773
C6 C3 H11 113.854 C6 C5 H15 111.050
C6 C5 H17 112.773 C7 C3 H11 113.854
C7 C4 H12 111.050 C7 C4 H18 112.773
H8 C1 H9 108.925 H12 C4 H18 107.297
H13 C6 H19 107.297 H14 C7 H16 107.297
H15 C5 H17 107.297

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