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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

wB97X-D/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1279 0.7897 0.0000   0.6247 0.9391 0.7897
C2 0.2217 0.2490 1.1231   1.0579 -0.4375 0.2490
C3 0.2217 0.2490 -1.1231   -0.8124 0.8066 0.2490
C4 -1.1234 0.7866 0.6679   -0.0661 -1.3053 0.7866
C5 -1.1234 0.7866 -0.6679   -1.1783 -0.5655 0.7866
C6 0.2217 -1.2733 0.7774   0.7700 -0.2460 -1.2733
C7 0.2217 -1.2733 -0.7774   -0.5245 0.6151 -1.2733
H8 1.2033 1.8800 0.0000   0.6664 1.0019 1.8800
H9 2.1300 0.3466 0.0000   1.1797 1.7734 0.3466
H10 0.5092 0.4762 2.1509   2.0729 -0.7673 0.4762
H11 0.5092 0.4762 -2.1509   -1.5088 1.6153 0.4762
H12 -1.9567 1.0064 1.3255   0.0199 -2.3633 1.0064
H13 -1.9567 1.0064 -1.3255   -2.1873 -0.8950 1.0064
H14 1.1217 -1.7531 1.1742   1.5989 0.2836 -1.7531
H15 1.1217 -1.7531 -1.1742   -0.3564 1.5842 -1.7531
H16 -0.6443 -1.7859 1.2027   0.6445 -1.2026 -1.7859
H17 -0.6443 -1.7859 -1.2027   -1.3582 0.1297 -1.7859
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5411 1.5411 2.3484 2.3484 2.3836 2.3836 1.0929 1.0956 2.2600 2.2600 3.3643 3.3643 2.8009 2.8009 3.3498 3.3498
C2 1.5411 2.2463 1.5184 2.3035 1.5611 2.4351 2.2102 2.2164 1.0911 3.2945 2.3151 3.3637 2.1957 3.1775 2.2130 3.2095
C3 1.5411 2.2463 2.3035 1.5184 2.4351 1.5611 2.2102 2.2164 3.2945 1.0911 3.3637 2.3151 3.1775 2.1957 3.2095 2.2130
C4 2.3484 1.5184 2.3035 1.3358 2.4626 2.8533 2.6562 3.3503 2.2274 3.2723 1.0839 2.1717 3.4274 3.8580 2.6709 3.2166
C5 2.3484 2.3035 1.5184 1.3358 2.8533 2.4626 2.6562 3.3503 3.2723 2.2274 2.1717 1.0839 3.8580 3.4274 3.2166 2.6709
C6 2.3836 1.5611 2.4351 2.4626 2.8533 1.5548 3.3928 2.6211 2.2428 3.4232 3.2004 3.7900 1.0943 2.2020 1.0925 2.2211
C7 2.3836 2.4351 1.5611 2.8533 2.4626 1.5548 3.3928 2.6211 3.4232 2.2428 3.7900 3.2004 2.2020 1.0943 2.2211 1.0925
H8 1.0929 2.2102 2.2102 2.6562 2.6562 3.3928 3.3928 1.7917 2.6606 2.6606 3.5363 3.5363 3.8190 3.8190 4.2777 4.2777
H9 1.0956 2.2164 2.2164 3.3503 3.3503 2.6211 2.6211 1.7917 2.6963 2.6963 4.3466 4.3466 2.6085 2.6085 3.7001 3.7001
H10 2.2600 1.0911 3.2945 2.2274 3.2723 2.2428 3.4232 2.6606 2.6963 4.3018 2.6539 4.2950 2.5097 4.0498 2.7105 4.2065
H11 2.2600 3.2945 1.0911 3.2723 2.2274 3.4232 2.2428 2.6606 2.6963 4.3018 4.2950 2.6539 4.0498 2.5097 4.2065 2.7105
H12 3.3643 2.3151 3.3637 1.0839 2.1717 3.2004 3.7900 3.5363 4.3466 2.6539 4.2950 2.6509 4.1369 4.8310 3.0878 3.9888
H13 3.3643 3.3637 2.3151 2.1717 1.0839 3.7900 3.2004 3.5363 4.3466 4.2950 2.6539 2.6509 4.8310 4.1369 3.9888 3.0878
H14 2.8009 2.1957 3.1775 3.4274 3.8580 1.0943 2.2020 3.8190 2.6085 2.5097 4.0498 4.1369 4.8310 2.3484 1.7665 2.9613
H15 2.8009 3.1775 2.1957 3.8580 3.4274 2.2020 1.0943 3.8190 2.6085 4.0498 2.5097 4.8310 4.1369 2.3484 2.9613 1.7665
H16 3.3498 2.2130 3.2095 2.6709 3.2166 1.0925 2.2211 4.2777 3.7001 2.7105 4.2065 3.0878 3.9888 1.7665 2.9613 2.4054
H17 3.3498 3.2095 2.2130 3.2166 2.6709 2.2211 1.0925 4.2777 3.7001 4.2065 2.7105 3.9888 3.0878 2.9613 1.7665 2.4054
Maximum atom distance is 4.8310Å 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 100.267 C1 C2 C6 100.411
C1 C3 C5 100.267 C1 C3 C7 100.411
C2 C1 C3 93.569 C2 C4 C5 107.446
C2 C6 C7 102.796 C3 C5 C4 107.446
C3 C7 C6 102.796 C4 C2 C6 106.190
C5 C3 C7 106.190
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.287 C1 C3 H11 117.287
C2 C1 H8 112.988 C2 C1 H9 113.323
C2 C4 H12 124.811 C2 C6 H14 110.318
C2 C6 H16 111.798 C3 C1 H8 112.988
C3 C1 H9 113.323 C3 C5 H13 124.811
C3 C7 H15 110.318 C3 C7 H17 111.798
C4 C2 H10 116.242 C4 C5 H13 127.346
C5 C3 H11 116.242 C5 C4 H12 127.346
C6 C2 H10 114.307 C6 C7 H15 111.261
C6 C7 H17 112.912 C7 C3 H11 114.307
C7 C6 H14 111.261 C7 C6 H16 112.912
H8 C1 H9 109.902 H14 C6 H16 107.756
H15 C7 H17 107.756

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