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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

mPW1PW91/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1227 0.7897 0.0000   0.0479 0.0000 1.3717
C2 0.2218 0.2497 1.1213   0.0879 1.1213 0.3223
C3 0.2218 0.2497 -1.1213   0.0879 -1.1213 0.3223
C4 -1.1200 0.7801 0.6666   1.2653 0.6666 -0.5117
C5 -1.1200 0.7801 -0.6666   1.2653 -0.6666 -0.5117
C6 0.2218 -1.2676 0.7747   -1.1828 0.7747 -0.5069
C7 0.2218 -1.2676 -0.7747   -1.1828 -0.7747 -0.5069
H8 1.1927 1.8777 0.0000   0.9208 0.0000 2.0249
H9 2.1235 0.3508 0.0000   -0.8666 0.0000 1.9701
H10 0.5081 0.4778 2.1462   0.1225 2.1462 0.6866
H11 0.5081 0.4778 -2.1462   0.1225 -2.1462 0.6866
H12 -1.9550 0.9932 1.3208   1.9001 1.3208 -1.0946
H13 -1.9550 0.9932 -1.3208   1.9001 -1.3208 -1.0946
H14 1.1196 -1.7472 1.1697   -2.0751 1.1697 -0.0171
H15 1.1196 -1.7472 -1.1697   -2.0751 -1.1697 -0.0171
H16 -0.6408 -1.7806 1.1994   -1.1410 1.1994 -1.5097
H17 -0.6408 -1.7806 -1.1994   -1.1410 -1.1994 -1.5097
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5363 1.5363 2.3397 2.3397 2.3757 2.3757 1.0903 1.0928 2.2541 2.2541 3.3553 3.3553 2.7936 2.7936 3.3398 3.3398
C2 1.5363 2.2425 1.5128 2.2974 1.5564 2.4284 2.2023 2.2099 1.0883 3.2879 2.3090 3.3549 2.1900 3.1690 2.2073 3.2018
C3 1.5363 2.2425 2.2974 1.5128 2.4284 1.5564 2.2023 2.2099 3.2879 1.0883 3.3549 2.3090 3.1690 2.1900 3.2018 2.2073
C4 2.3397 1.5128 2.2974 1.3331 2.4506 2.8409 2.6453 3.3390 2.2207 3.2640 1.0820 2.1661 3.4141 3.8438 2.6590 3.2044
C5 2.3397 2.2974 1.5128 1.3331 2.8409 2.4506 2.6453 3.3390 3.2640 2.2207 2.1661 1.0820 3.8438 3.4141 3.2044 2.6590
C6 2.3757 1.5564 2.4284 2.4506 2.8409 1.5495 3.3817 2.6145 2.2382 3.4147 3.1856 3.7737 1.0918 2.1947 1.0898 2.2146
C7 2.3757 2.4284 1.5564 2.8409 2.4506 1.5495 3.3817 2.6145 3.4147 2.2382 3.7737 3.1856 2.1947 1.0918 2.2146 1.0898
H8 1.0903 2.2023 2.2023 2.6453 2.6453 3.3817 3.3817 1.7882 2.6523 2.6523 3.5263 3.5263 3.8097 3.8097 4.2642 4.2642
H9 1.0928 2.2099 2.2099 3.3390 3.3390 2.6145 2.6145 1.7882 2.6892 2.6892 4.3349 4.3349 2.6034 2.6034 3.6909 3.6909
H10 2.2541 1.0883 3.2879 2.2207 3.2640 2.2382 3.4147 2.6523 2.6892 4.2924 2.6484 4.2840 2.5056 4.0398 2.7049 4.1968
H11 2.2541 3.2879 1.0883 3.2640 2.2207 3.4147 2.2382 2.6523 2.6892 4.2924 4.2840 2.6484 4.0398 2.5056 4.1968 2.7049
H12 3.3553 2.3090 3.3549 1.0820 2.1661 3.1856 3.7737 3.5263 4.3349 2.6484 4.2840 2.6415 4.1214 4.8131 3.0717 3.9714
H13 3.3553 3.3549 2.3090 2.1661 1.0820 3.7737 3.1856 3.5263 4.3349 4.2840 2.6484 2.6415 4.8131 4.1214 3.9714 3.0717
H14 2.7936 2.1900 3.1690 3.4141 3.8438 1.0918 2.1947 3.8097 2.6034 2.5056 4.0398 4.1214 4.8131 2.3395 1.7610 2.9518
H15 2.7936 3.1690 2.1900 3.8438 3.4141 2.1947 1.0918 3.8097 2.6034 4.0398 2.5056 4.8131 4.1214 2.3395 2.9518 1.7610
H16 3.3398 2.2073 3.2018 2.6590 3.2044 1.0898 2.2146 4.2642 3.6909 2.7049 4.1968 3.0717 3.9714 1.7610 2.9518 2.3988
H17 3.3398 3.2018 2.2073 3.2044 2.6590 2.2146 1.0898 4.2642 3.6909 4.1968 2.7049 3.9714 3.0717 2.9518 1.7610 2.3988
Maximum atom distance is 4.8131Å 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 100.377
C1 C3 C5 100.224 C1 C3 C7 100.377
C2 C1 C3 93.746 C2 C4 C5 107.492
C2 C6 C7 102.865 C3 C5 C4 107.492
C3 C7 C6 102.865 C4 C2 C6 105.954
C5 C3 C7 105.954
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.351 C1 C3 H11 117.351
C2 C1 H8 112.855 C2 C1 H9 113.319
C2 C4 H12 124.879 C2 C6 H14 110.347
C2 C6 H16 111.846 C3 C1 H8 112.855
C3 C1 H9 113.319 C3 C5 H13 124.879
C3 C7 H15 110.347 C3 C7 H17 111.846
C4 C2 H10 116.288 C4 C5 H13 127.203
C5 C3 H11 116.288 C5 C4 H12 127.203
C6 C2 H10 114.457 C6 C7 H15 111.211
C6 C7 H17 112.935 C7 C3 H11 114.457
C7 C6 H14 111.211 C7 C6 H16 112.935
H8 C1 H9 109.995 H14 C6 H16 107.645
H15 C7 H17 107.645

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