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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

MP2/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1424 0.8112 0.0000   0.6229 0.9576 0.8112
C2 0.2285 0.2558 1.1445   1.0840 -0.4325 0.2558
C3 0.2285 0.2558 -1.1445   -0.8348 0.8156 0.2558
C4 -1.1421 0.7796 0.6771   -0.0551 -1.3266 0.7796
C5 -1.1421 0.7796 -0.6771   -1.1903 -0.5882 0.7796
C6 0.2285 -1.2860 0.7906   0.7873 -0.2395 -1.2860
C7 0.2285 -1.2860 -0.7906   -0.5381 0.6226 -1.2860
H8 1.1848 1.9040 0.0000   0.6460 0.9932 1.9040
H9 2.1474 0.3734 0.0000   1.1709 1.8002 0.3734
H10 0.5103 0.4914 2.1714   2.0985 -0.7562 0.4914
H11 0.5103 0.4914 -2.1714   -1.5420 1.6117 0.4914
H12 -1.9772 0.9937 1.3342   0.0404 -2.3849 0.9937
H13 -1.9772 0.9937 -1.3342   -2.1964 -0.9300 0.9937
H14 1.1336 -1.7663 1.1787   1.6061 0.3076 -1.7663
H15 1.1336 -1.7663 -1.1787   -0.3700 1.5929 -1.7663
H16 -0.6497 -1.7873 1.2064   0.6571 -1.2025 -1.7873
H17 -0.6497 -1.7873 -1.2064   -1.3656 0.1131 -1.7873
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5664 1.5664 2.3829 2.3829 2.4204 2.4204 1.0937 1.0963 2.2840 2.2840 3.3977 3.3977 2.8342 2.8342 3.3792 3.3792
C2 1.5664 2.2890 1.5399 2.3391 1.5819 2.4742 2.2229 2.2374 1.0906 3.3362 2.3336 3.3990 2.2156 3.2101 2.2247 3.2361
C3 1.5664 2.2890 2.3391 1.5399 2.4742 1.5819 2.2229 2.2374 3.3362 1.0906 3.3990 2.3336 3.2101 2.2156 3.2361 2.2247
C4 2.3829 1.5399 2.3391 1.3542 2.4816 2.8809 2.6715 3.3830 2.2464 3.3057 1.0840 2.1882 3.4514 3.8864 2.6668 3.2217
C5 2.3829 2.3391 1.5399 1.3542 2.8809 2.4816 2.6715 3.3830 3.3057 2.2464 2.1882 1.0840 3.8864 3.4514 3.2217 2.6668
C6 2.4204 1.5819 2.4742 2.4816 2.8809 1.5812 3.4228 2.6572 2.2684 3.4659 3.2183 3.8179 1.0957 2.2199 1.0934 2.2385
C7 2.4204 2.4742 1.5819 2.8809 2.4816 1.5812 3.4228 2.6572 3.4659 2.2684 3.8179 3.2183 2.2199 1.0957 2.2385 1.0934
H8 1.0937 2.2229 2.2229 2.6715 2.6715 3.4228 3.4228 1.8082 2.6768 2.6768 3.5506 3.5506 3.8552 3.8552 4.2950 4.2950
H9 1.0963 2.2374 2.2374 3.3830 3.3830 2.6572 2.6572 1.8082 2.7220 2.7220 4.3792 4.3792 2.6448 2.6448 3.7347 3.7347
H10 2.2840 1.0906 3.3362 2.2464 3.3057 2.2684 3.4659 2.6768 2.7220 4.3429 2.6722 4.3277 2.5439 4.0877 2.7331 4.2366
H11 2.2840 3.3362 1.0906 3.3057 2.2464 3.4659 2.2684 2.6768 2.7220 4.3429 4.3277 2.6722 4.0877 2.5439 4.2366 2.7331
H12 3.3977 2.3336 3.3990 1.0840 2.1882 3.2183 3.8179 3.5506 4.3792 2.6722 4.3277 2.6683 4.1615 4.8589 3.0842 3.9938
H13 3.3977 3.3990 2.3336 2.1882 1.0840 3.8179 3.2183 3.5506 4.3792 4.3277 2.6722 2.6683 4.8589 4.1615 3.9938 3.0842
H14 2.8342 2.2156 3.2101 3.4514 3.8864 1.0957 2.2199 3.8552 2.6448 2.5439 4.0877 4.1615 4.8589 2.3573 1.7837 2.9782
H15 2.8342 3.2101 2.2156 3.8864 3.4514 2.2199 1.0957 3.8552 2.6448 4.0877 2.5439 4.8589 4.1615 2.3573 2.9782 1.7837
H16 3.3792 2.2247 3.2361 2.6668 3.2217 1.0934 2.2385 4.2950 3.7347 2.7331 4.2366 3.0842 3.9938 1.7837 2.9782 2.4129
H17 3.3792 3.2361 2.2247 3.2217 2.6668 2.2385 1.0934 4.2950 3.7347 4.2366 2.7331 3.9938 3.0842 2.9782 1.7837 2.4129
Maximum atom distance is 4.8589Å 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 100.186 C1 C2 C6 100.492
C1 C3 C5 100.186 C1 C3 C7 100.492
C2 C1 C3 93.888 C2 C4 C5 107.670
C2 C6 C7 102.929 C3 C5 C4 107.670
C3 C7 C6 102.929 C4 C2 C6 105.286
C5 C3 C7 105.286
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.427 C1 C3 H11 117.427
C2 C1 H8 112.146 C2 C1 H9 113.159
C2 C4 H12 124.670 C2 C6 H14 110.362
C2 C6 H16 111.208 C3 C1 H8 112.146
C3 C1 H9 113.159 C3 C5 H13 124.670
C3 C7 H15 110.362 C3 C7 H17 111.208
C4 C2 H10 116.248 C4 C5 H13 127.315
C5 C3 H11 116.248 C5 C4 H12 127.315
C6 C2 H10 114.916 C6 C7 H15 110.744
C6 C7 H17 112.353 C7 C3 H11 114.916
C7 C6 H14 110.744 C7 C6 H16 112.353
H8 C1 H9 111.311 H14 C6 H16 109.140
H15 C7 H17 109.140

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