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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

B3LYPultrafine/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1395 0.8064 0.0000   0.0463 0.0000 1.3952
C2 0.2264 0.2565 1.1390   0.0895 1.1390 0.3302
C3 0.2264 0.2565 -1.1390   0.0895 -1.1390 0.3302
C4 -1.1378 0.7775 0.6705   1.2753 0.6705 -0.5223
C5 -1.1378 0.7775 -0.6705   1.2753 -0.6705 -0.5223
C6 0.2264 -1.2818 0.7871   -1.1949 0.7871 -0.5163
C7 0.2264 -1.2818 -0.7871   -1.1949 -0.7871 -0.5163
H8 1.1918 1.8979 0.0000   0.9289 0.0000 2.0395
H9 2.1410 0.3632 0.0000   -0.8748 0.0000 1.9876
H10 0.5114 0.4890 2.1643   0.1269 2.1643 0.6961
H11 0.5114 0.4890 -2.1643   0.1269 -2.1643 0.6961
H12 -1.9687 0.9946 1.3285   1.9138 1.3285 -1.0965
H13 -1.9687 0.9946 -1.3285   1.9138 -1.3285 -1.0965
H14 1.1310 -1.7604 1.1768   -2.0922 1.1768 -0.0243
H15 1.1310 -1.7604 -1.1768   -2.0922 -1.1768 -0.0243
H16 -0.6487 -1.7855 1.2041   -1.1339 1.2041 -1.5242
H17 -0.6487 -1.7855 -1.2041   -1.1339 -1.2041 -1.5242
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5600 1.5600 2.3742 2.3742 2.4112 2.4112 1.0928 1.0951 2.2758 2.2758 3.3855 3.3855 2.8236 2.8236 3.3713 3.3713
C2 1.5600 2.2781 1.5337 2.3253 1.5780 2.4650 2.2190 2.2303 1.0892 3.3237 2.3237 3.3841 2.2107 3.2014 2.2225 3.2289
C3 1.5600 2.2781 2.3253 1.5337 2.4650 1.5780 2.2190 2.2303 3.3237 1.0892 3.3841 2.3237 3.2014 2.2107 3.2289 2.2225
C4 2.3742 1.5337 2.3253 1.3409 2.4729 2.8681 2.6706 3.3722 2.2438 3.2923 1.0819 2.1756 3.4416 3.8730 2.6632 3.2128
C5 2.3742 2.3253 1.5337 1.3409 2.8681 2.4729 2.6706 3.3722 3.2923 2.2438 2.1756 1.0819 3.8730 3.4416 3.2128 2.6632
C6 2.4112 1.5780 2.4650 2.4729 2.8681 1.5741 3.4150 2.6441 2.2613 3.4536 3.2084 3.8048 1.0950 2.2145 1.0924 2.2325
C7 2.4112 2.4650 1.5780 2.8681 2.4729 1.5741 3.4150 2.6441 3.4536 2.2613 3.8048 3.2084 2.2145 1.0950 2.2325 1.0924
H8 1.0928 2.2190 2.2190 2.6706 2.6706 3.4150 3.4150 1.8045 2.6706 2.6706 3.5454 3.5454 3.8434 3.8434 4.2901 4.2901
H9 1.0951 2.2303 2.2303 3.3722 3.3722 2.6441 2.6441 1.8045 2.7121 2.7121 4.3650 4.3650 2.6295 2.6295 3.7214 3.7214
H10 2.2758 1.0892 3.3237 2.2438 3.2923 2.2613 3.4536 2.6706 2.7121 4.3286 2.6655 4.3135 2.5335 4.0750 2.7278 4.2267
H11 2.2758 3.3237 1.0892 3.2923 2.2438 3.4536 2.2613 2.6706 2.7121 4.3286 4.3135 2.6655 4.0750 2.5335 4.2267 2.7278
H12 3.3855 2.3237 3.3841 1.0819 2.1756 3.2084 3.8048 3.5454 4.3650 2.6655 4.3135 2.6570 4.1498 4.8450 3.0801 3.9856
H13 3.3855 3.3841 2.3237 2.1756 1.0819 3.8048 3.2084 3.5454 4.3650 4.3135 2.6655 2.6570 4.8450 4.1498 3.9856 3.0801
H14 2.8236 2.2107 3.2014 3.4416 3.8730 1.0950 2.2145 3.8434 2.6295 2.5335 4.0750 4.1498 4.8450 2.3535 1.7801 2.9726
H15 2.8236 3.2014 2.2107 3.8730 3.4416 2.2145 1.0950 3.8434 2.6295 4.0750 2.5335 4.8450 4.1498 2.3535 2.9726 1.7801
H16 3.3713 2.2225 3.2289 2.6632 3.2128 1.0924 2.2325 4.2901 3.7214 2.7278 4.2267 3.0801 3.9856 1.7801 2.9726 2.4082
H17 3.3713 3.2289 2.2225 3.2128 2.6632 2.2325 1.0924 4.2901 3.7214 4.2267 2.7278 3.9856 3.0801 2.9726 1.7801 2.4082
Maximum atom distance is 4.8450Å 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 100.243 C1 C2 C6 100.415
C1 C3 C5 100.243 C1 C3 C7 100.415
C2 C1 C3 93.800 C2 C4 C5 107.790
C2 C6 C7 102.888 C3 C5 C4 107.790
C3 C7 C6 102.888 C4 C2 C6 105.248
C5 C3 C7 105.248
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.315 C1 C3 H11 117.315
C2 C1 H8 112.342 C2 C1 H9 113.117
C2 C4 H12 124.435 C2 C6 H14 110.280
C2 C6 H16 111.364 C3 C1 H8 112.342
C3 C1 H9 113.117 C3 C5 H13 124.435
C3 C7 H15 110.280 C3 C7 H17 111.364
C4 C2 H10 116.601 C4 C5 H13 127.462
C5 C3 H11 116.601 C5 C4 H12 127.462
C6 C2 H10 114.712 C6 C7 H15 110.847
C6 C7 H17 112.440 C7 C3 H11 114.712
C7 C6 H14 110.847 C7 C6 H16 112.440
H8 C1 H9 111.126 H14 C6 H16 108.930
H15 C7 H17 108.930

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