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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

PBEPBEultrafine/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1301 0.7965 0.0000   0.6171 0.9467 0.7965
C2 0.2231 0.2533 1.1291   1.0676 -0.4297 0.2533
C3 0.2231 0.2533 -1.1291   -0.8240 0.8035 0.2533
C4 -1.1267 0.7835 0.6729   -0.0516 -1.3113 0.7835
C5 -1.1267 0.7835 -0.6729   -1.1789 -0.5764 0.7835
C6 0.2231 -1.2759 0.7796   0.7749 -0.2389 -1.2759
C7 0.2231 -1.2759 -0.7796   -0.5313 0.6126 -1.2759
H8 1.1990 1.8934 0.0000   0.6548 1.0044 1.8934
H9 2.1393 0.3549 0.0000   1.1683 1.7921 0.3549
H10 0.5125 0.4819 2.1623   2.0913 -0.7516 0.4819
H11 0.5125 0.4819 -2.1623   -1.5315 1.6102 0.4819
H12 -1.9702 0.9885 1.3332   0.0409 -2.3785 0.9885
H13 -1.9702 0.9885 -1.3332   -2.1927 -0.9224 0.9885
H14 1.1284 -1.7583 1.1784   1.6034 0.3018 -1.7583
H15 1.1284 -1.7583 -1.1784   -0.3709 1.5888 -1.7583
H16 -0.6469 -1.7916 1.2087   0.6592 -1.2019 -1.7916
H17 -0.6469 -1.7916 -1.2087   -1.3658 0.1182 -1.7916
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5468 1.5468 2.3549 2.3549 2.3927 2.3927 1.0991 1.1016 2.2707 2.2707 3.3802 3.3802 2.8134 2.8134 3.3640 3.3640
C2 1.5468 2.2581 1.5202 2.3130 1.5686 2.4457 2.2175 2.2264 1.0971 3.3120 2.3222 3.3784 2.2065 3.1922 2.2237 3.2254
C3 1.5468 2.2581 2.3130 1.5202 2.4457 1.5686 2.2175 2.2264 3.3120 1.0971 3.3784 2.3222 3.1922 2.2065 3.2254 2.2237
C4 2.3549 1.5202 2.3130 1.3457 2.4646 2.8588 2.6633 3.3620 2.2352 3.2888 1.0907 2.1858 3.4354 3.8695 2.6736 3.2251
C5 2.3549 2.3130 1.5202 1.3457 2.8588 2.4646 2.6633 3.3620 3.2888 2.2352 2.1858 1.0907 3.8695 3.4354 3.2251 2.6736
C6 2.3927 1.5686 2.4457 2.4646 2.8588 1.5592 3.4065 2.6342 2.2551 3.4392 3.2007 3.7949 1.1006 2.2104 1.0985 2.2307
C7 2.3927 2.4457 1.5686 2.8588 2.4646 1.5592 3.4065 2.6342 3.4392 2.2551 3.7949 3.2007 2.2104 1.1006 2.2307 1.0985
H8 1.0991 2.2175 2.2175 2.6633 2.6633 3.4065 3.4065 1.8031 2.6720 2.6720 3.5553 3.5553 3.8377 3.8377 4.2950 4.2950
H9 1.1016 2.2264 2.2264 3.3620 3.3620 2.6342 2.6342 1.8031 2.7089 2.7089 4.3665 4.3665 2.6222 2.6222 3.7190 3.7190
H10 2.2707 1.0971 3.3120 2.2352 3.2888 2.2551 3.4392 2.6720 2.7089 4.3247 2.6660 4.3173 2.5231 4.0691 2.7243 4.2280
H11 2.2707 3.3120 1.0971 3.2888 2.2352 3.4392 2.2551 2.6720 2.7089 4.3247 4.3173 2.6660 4.0691 2.5231 4.2280 2.7243
H12 3.3802 2.3222 3.3784 1.0907 2.1858 3.2007 3.7949 3.5553 4.3665 2.6660 4.3173 2.6663 4.1437 4.8429 3.0815 3.9926
H13 3.3802 3.3784 2.3222 2.1858 1.0907 3.7949 3.2007 3.5553 4.3665 4.3173 2.6660 2.6663 4.8429 4.1437 3.9926 3.0815
H14 2.8134 2.2065 3.1922 3.4354 3.8695 1.1006 2.2104 3.8377 2.6222 2.5231 4.0691 4.1437 4.8429 2.3567 1.7759 2.9750
H15 2.8134 3.1922 2.2065 3.8695 3.4354 2.2104 1.1006 3.8377 2.6222 4.0691 2.5231 4.8429 4.1437 2.3567 2.9750 1.7759
H16 3.3640 2.2237 3.2254 2.6736 3.2251 1.0985 2.2307 4.2950 3.7190 2.7243 4.2280 3.0815 3.9926 1.7759 2.9750 2.4173
H17 3.3640 3.2254 2.2237 3.2251 2.6736 2.2307 1.0985 4.2950 3.7190 4.2280 2.7243 3.9926 3.0815 2.9750 1.7759 2.4173
Maximum atom distance is 4.8429Å 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 100.317 C1 C2 C6 100.353
C1 C3 C5 100.317 C1 C3 C7 100.353
C2 C1 C3 93.765 C2 C4 C5 107.463
C2 C6 C7 102.873 C3 C5 C4 107.463
C3 C7 C6 102.873 C4 C2 C6 105.852
C5 C3 C7 105.852
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.364 C1 C3 H11 117.364
C2 C1 H8 112.785 C2 C1 H9 113.355
C2 C4 H12 124.789 C2 C6 H14 110.278
C2 C6 H16 111.754 C3 C1 H8 112.785
C3 C1 H9 113.355 C3 C5 H13 124.789
C3 C7 H15 110.278 C3 C7 H17 111.754
C4 C2 H10 116.372 C4 C5 H13 127.258
C5 C3 H11 116.372 C5 C4 H12 127.258
C6 C2 H10 114.387 C6 C7 H15 111.241
C6 C7 H17 112.990 C7 C3 H11 114.387
C7 C6 H14 111.241 C7 C6 H16 112.990
H8 C1 H9 110.035 H14 C6 H16 107.707
H15 C7 H17 107.707

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