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Geometry for C7H10 (Norbornene) 1A' CS

1910171554
InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 INChIKey=JFNLZVQOOSMTJK-UHFFFAOYSA-N

BLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1487 0.8135 0.0000   0.0511 0.0000 1.4067
C2 0.2277 0.2588 1.1481   0.0918 1.1481 0.3322
C3 0.2277 0.2588 -1.1481   0.0918 -1.1481 0.3322
C4 -1.1456 0.7848 0.6761   1.2842 0.6761 -0.5284
C5 -1.1456 0.7848 -0.6761   1.2842 -0.6761 -0.5284
C6 0.2277 -1.2933 0.7931   -1.2066 0.7931 -0.5181
C7 0.2277 -1.2933 -0.7931   -1.2066 -0.7931 -0.5181
H8 1.1994 1.9124 0.0000   0.9427 0.0000 2.0512
H9 2.1574 0.3683 0.0000   -0.8739 0.0000 2.0066
H10 0.5148 0.4917 2.1805   0.1293 2.1805 0.7001
H11 0.5148 0.4917 -2.1805   0.1293 -2.1805 0.7001
H12 -1.9832 0.9989 1.3391   1.9222 1.3391 -1.1118
H13 -1.9832 0.9989 -1.3391   1.9222 -1.3391 -1.1118
H14 1.1391 -1.7736 1.1855   -2.1078 1.1855 -0.0188
H15 1.1391 -1.7736 -1.1855   -2.1078 -1.1855 -0.0188
H16 -0.6536 -1.7998 1.2128   -1.1475 1.2128 -1.5329
H17 -0.6536 -1.7998 -1.2128   -1.1475 -1.2128 -1.5329
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5730 1.5730 2.3921 2.3921 2.4323 2.4323 1.1001 1.1025 2.2935 2.2935 3.4112 3.4112 2.8458 2.8458 3.3983 3.3983
C2 1.5730 2.2962 1.5444 2.3431 1.5922 2.4854 2.2354 2.2481 1.0966 3.3491 2.3392 3.4091 2.2277 3.2260 2.2402 3.2539
C3 1.5730 2.2962 2.3431 1.5444 2.4854 1.5922 2.2354 2.2481 3.3491 1.0966 3.4091 2.3392 3.2260 2.2277 3.2539 2.2402
C4 2.3921 1.5444 2.3431 1.3522 2.4936 2.8919 2.6885 3.3971 2.2597 3.3171 1.0895 2.1928 3.4677 3.9027 2.6851 3.2388
C5 2.3921 2.3431 1.5444 1.3522 2.8919 2.4936 2.6885 3.3971 3.3171 2.2597 2.1928 1.0895 3.9027 3.4677 3.2388 2.6851
C6 2.4323 1.5922 2.4854 2.4936 2.8919 1.5862 3.4424 2.6672 2.2790 3.4801 3.2311 3.8325 1.1025 2.2308 1.0997 2.2487
C7 2.4323 2.4854 1.5922 2.8919 2.4936 1.5862 3.4424 2.6672 3.4801 2.2790 3.8325 3.2311 2.2308 1.1025 2.2487 1.0997
H8 1.1001 2.2354 2.2354 2.6885 2.6885 3.4424 3.4424 1.8171 2.6911 2.6911 3.5717 3.5717 3.8724 3.8724 4.3226 4.3226
H9 1.1025 2.2481 2.2481 3.3971 3.3971 2.6672 2.6672 1.8171 2.7328 2.7328 4.3972 4.3972 2.6514 2.6514 3.7514 3.7514
H10 2.2935 1.0966 3.3491 2.2597 3.3171 2.2790 3.4801 2.6911 2.7328 4.3611 2.6842 4.3457 2.5518 4.1051 2.7482 4.2580
H11 2.2935 3.3491 1.0966 3.3171 2.2597 3.4801 2.2790 2.6911 2.7328 4.3611 4.3457 2.6842 4.1051 2.5518 4.2580 2.7482
H12 3.4112 2.3392 3.4091 1.0895 2.1928 3.2311 3.8325 3.5717 4.3972 2.6842 4.3457 2.6782 4.1784 4.8795 3.1010 4.0140
H13 3.4112 3.4091 2.3392 2.1928 1.0895 3.8325 3.2311 3.5717 4.3972 4.3457 2.6842 2.6782 4.8795 4.1784 4.0140 3.1010
H14 2.8458 2.2277 3.2260 3.4677 3.9027 1.1025 2.2308 3.8724 2.6514 2.5518 4.1051 4.1784 4.8795 2.3711 1.7931 2.9944
H15 2.8458 3.2260 2.2277 3.9027 3.4677 2.2308 1.1025 3.8724 2.6514 4.1051 2.5518 4.8795 4.1784 2.3711 2.9944 1.7931
H16 3.3983 2.2402 3.2539 2.6851 3.2388 1.0997 2.2487 4.3226 3.7514 2.7482 4.2580 3.1010 4.0140 1.7931 2.9944 2.4255
H17 3.3983 3.2539 2.2402 3.2388 2.6851 2.2487 1.0997 4.3226 3.7514 4.2580 2.7482 4.0140 3.1010 2.9944 1.7931 2.4255
Maximum atom distance is 4.8795Å between atoms H12 and H15.
picture of Norbornene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 100.224 C1 C2 C6 100.427
C1 C3 C5 100.224 C1 C3 C7 100.427
C2 C1 C3 93.757 C2 C4 C5 107.795
C2 C6 C7 102.884 C3 C5 C4 107.795
C3 C7 C6 102.884 C4 C2 C6 105.299
C5 C3 C7 105.299
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.319 C1 C3 H11 117.319
C2 C1 H8 112.286 C2 C1 H9 113.162
C2 C4 H12 124.369 C2 C6 H14 110.200
C2 C6 H16 111.337 C3 C1 H8 112.286
C3 C1 H9 113.162 C3 C5 H13 124.369
C3 C7 H15 110.200 C3 C7 H17 111.337
C4 C2 H10 116.628 C4 C5 H13 127.485
C5 C3 H11 116.628 C5 C4 H12 127.485
C6 C2 H10 114.644 C6 C7 H15 110.853
C6 C7 H17 112.435 C7 C3 H11 114.644
C7 C6 H14 110.853 C7 C6 H16 112.435
H8 C1 H9 111.173 H14 C6 H16 109.031
H15 C7 H17 109.031

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