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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

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1277 0.7848 0.0000   0.0417 0.0000 1.3732
C2 0.2214 0.2454 1.1208   0.0847 1.1208 0.3194
C3 0.2214 0.2454 -1.1208   0.0847 -1.1208 0.3194
C4 -1.1231 0.7895 0.6607   1.2746 0.6607 -0.5098
C5 -1.1231 0.7895 -0.6607   1.2746 -0.6607 -0.5098
C6 0.2214 -1.2727 0.7784   -1.1871 0.7784 -0.5095
C7 0.2214 -1.2727 -0.7784   -1.1871 -0.7784 -0.5095
H8 1.2075 1.8656 0.0000   0.9035 0.0000 2.0302
H9 2.1217 0.3444 0.0000   -0.8700 0.0000 1.9655
H10 0.5022 0.4756 2.1404   0.1242 2.1404 0.6804
H11 0.5022 0.4756 -2.1404   0.1242 -2.1404 0.6804
H12 -1.9453 1.0287 1.3106   1.9240 1.3106 -1.0680
H13 -1.9453 1.0287 -1.3106   1.9240 -1.3106 -1.0680
H14 1.1140 -1.7514 1.1700   -2.0755 1.1700 -0.0231
H15 1.1140 -1.7514 -1.1700   -2.0755 -1.1700 -0.0231
H16 -0.6366 -1.7850 1.1981   -1.1477 1.1981 -1.5080
H17 -0.6366 -1.7850 -1.1981   -1.1477 -1.1981 -1.5080
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5390 1.5390 2.3457 2.3457 2.3792 2.3792 1.0837 1.0872 2.2513 2.2513 3.3497 3.3497 2.7930 2.7930 3.3394 3.3394
C2 1.5390 2.2417 1.5216 2.2973 1.5562 2.4314 2.2031 2.2084 1.0823 3.2814 2.3118 3.3496 2.1877 3.1673 2.2055 3.1993
C3 1.5390 2.2417 2.2973 1.5216 2.4314 1.5562 2.2031 2.2084 3.2814 1.0823 3.3496 2.3118 3.1673 2.1877 3.1993 2.2055
C4 2.3457 1.5216 2.2973 1.3214 2.4645 2.8515 2.6506 3.3411 2.2202 3.2537 1.0750 2.1492 3.4234 3.8486 2.6745 3.2124
C5 2.3457 2.2973 1.5216 1.3214 2.8515 2.4645 2.6506 3.3411 3.2537 2.2202 2.1492 1.0750 3.8486 3.4234 3.2124 2.6745
C6 2.3792 1.5562 2.4314 2.4645 2.8515 1.5568 3.3804 2.6138 2.2339 3.4139 3.2053 3.7888 1.0859 2.1959 1.0839 2.2147
C7 2.3792 2.4314 1.5562 2.8515 2.4645 1.5568 3.3804 2.6138 3.4139 2.2339 3.7888 3.2053 2.1959 1.0859 2.2147 1.0839
H8 1.0837 2.2031 2.2031 2.6506 2.6506 3.3804 3.3804 1.7747 2.6478 2.6478 3.5154 3.5154 3.8026 3.8026 4.2617 4.2617
H9 1.0872 2.2084 2.2084 3.3411 3.3411 2.6138 2.6138 1.7747 2.6873 2.6873 4.3274 4.3274 2.6032 2.6032 3.6848 3.6848
H10 2.2513 1.0823 3.2814 2.2202 3.2537 2.2339 3.4139 2.6478 2.6873 4.2808 2.6429 4.2668 2.5051 4.0364 2.7009 4.1896
H11 2.2513 3.2814 1.0823 3.2537 2.2202 3.4139 2.2339 2.6478 2.6873 4.2808 4.2668 2.6429 4.0364 2.5051 4.1896 2.7009
H12 3.3497 2.3118 3.3496 1.0750 2.1492 3.2053 3.7888 3.5154 4.3274 2.6429 4.2668 2.6211 4.1361 4.8209 3.1051 3.9903
H13 3.3497 3.3496 2.3118 2.1492 1.0750 3.7888 3.2053 3.5154 4.3274 4.2668 2.6429 2.6211 4.8209 4.1361 3.9903 3.1051
H14 2.7930 2.1877 3.1673 3.4234 3.8486 1.0859 2.1959 3.8026 2.6032 2.5051 4.0364 4.1361 4.8209 2.3401 1.7512 2.9451
H15 2.7930 3.1673 2.1877 3.8486 3.4234 2.1959 1.0859 3.8026 2.6032 4.0364 2.5051 4.8209 4.1361 2.3401 2.9451 1.7512
H16 3.3394 2.2055 3.1993 2.6745 3.2124 1.0839 2.2147 4.2617 3.6848 2.7009 4.1896 3.1051 3.9903 1.7512 2.9451 2.3961
H17 3.3394 3.1993 2.2055 3.2124 2.6745 2.2147 1.0839 4.2617 3.6848 4.1896 2.7009 3.9903 3.1051 2.9451 1.7512 2.3961
Maximum atom distance is 4.8209Å 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 100.065 C1 C2 C6 100.464
C1 C3 C5 100.065 C1 C3 C7 100.464
C2 C1 C3 93.485 C2 C4 C5 107.601
C2 C6 C7 102.712 C3 C5 C4 107.601
C3 C7 C6 102.712 C4 C2 C6 106.396
C5 C3 C7 106.396
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.307 C1 C3 H11 117.307
C2 C1 H8 113.134 C2 C1 H9 113.358
C2 C4 H12 124.933 C2 C6 H14 110.525
C2 C6 H16 112.076 C3 C1 H8 113.134
C3 C1 H9 113.358 C3 C5 H13 124.933
C3 C7 H15 110.525 C3 C7 H17 112.076
C4 C2 H10 115.977 C4 C5 H13 127.193
C5 C3 H11 115.977 C5 C4 H12 127.193
C6 C2 H10 114.507 C6 C7 H15 111.141
C6 C7 H17 112.781 C7 C3 H11 114.507
C7 C6 H14 111.141 C7 C6 H16 112.781
H8 C1 H9 109.670 H14 C6 H16 107.621
H15 C7 H17 107.621

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