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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/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1322 0.7966 0.0000   0.0518 0.0000 1.3834
C2 0.2231 0.2531 1.1315   0.0908 1.1315 0.3249
C3 0.2231 0.2531 -1.1315   0.0908 -1.1315 0.3249
C4 -1.1285 0.7880 0.6766   1.2753 0.6766 -0.5176
C5 -1.1285 0.7880 -0.6766   1.2753 -0.6766 -0.5176
C6 0.2231 -1.2797 0.7813   -1.1949 0.7813 -0.5096
C7 0.2231 -1.2797 -0.7813   -1.1949 -0.7813 -0.5096
H8 1.2020 1.8968 0.0000   0.9367 0.0000 2.0409
H9 2.1450 0.3545 0.0000   -0.8704 0.0000 1.9922
H10 0.5154 0.4813 2.1677   0.1231 2.1677 0.6943
H11 0.5154 0.4813 -2.1677   0.1231 -2.1677 0.6943
H12 -1.9737 0.9960 1.3386   1.9100 1.3386 -1.1133
H13 -1.9737 0.9960 -1.3386   1.9100 -1.3386 -1.1133
H14 1.1314 -1.7627 1.1819   -2.0945 1.1819 -0.0107
H15 1.1314 -1.7627 -1.1819   -2.0945 -1.1819 -0.0107
H16 -0.6488 -1.7979 1.2120   -1.1548 1.2120 -1.5230
H17 -0.6488 -1.7979 -1.2120   -1.1548 -1.2120 -1.5230
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5499 1.5499 2.3598 2.3598 2.3976 2.3976 1.1024 1.1051 2.2757 2.2757 3.3879 3.3879 2.8191 2.8191 3.3723 3.3723
C2 1.5499 2.2631 1.5231 2.3200 1.5723 2.4513 2.2228 2.2326 1.1006 3.3201 2.3282 3.3881 2.2116 3.2000 2.2300 3.2340
C3 1.5499 2.2631 2.3200 1.5231 2.4513 1.5723 2.2228 2.2326 3.3201 1.1006 3.3881 2.3282 3.2000 2.2116 3.2340 2.2300
C4 2.3598 1.5231 2.3200 1.3533 2.4725 2.8684 2.6681 3.3706 2.2405 3.2995 1.0935 2.1952 3.4450 3.8816 2.6839 3.2379
C5 2.3598 2.3200 1.5231 1.3533 2.8684 2.4725 2.6681 3.3706 3.2995 2.2405 2.1952 1.0935 3.8816 3.4450 3.2379 2.6839
C6 2.3976 1.5723 2.4513 2.4725 2.8684 1.5627 3.4146 2.6410 2.2603 3.4473 3.2117 3.8078 1.1040 2.2164 1.1018 2.2366
C7 2.3976 2.4513 1.5723 2.8684 2.4725 1.5627 3.4146 2.6410 3.4473 2.2603 3.8078 3.2117 2.2164 1.1040 2.2366 1.1018
H8 1.1024 2.2228 2.2228 2.6681 2.6681 3.4146 3.4146 1.8078 2.6785 2.6785 3.5620 3.5620 3.8463 3.8463 4.3064 4.3064
H9 1.1051 2.2326 2.2326 3.3706 3.3706 2.6410 2.6410 1.8078 2.7149 2.7149 4.3780 4.3780 2.6281 2.6281 3.7292 3.7292
H10 2.2757 1.1006 3.3201 2.2405 3.2995 2.2603 3.4473 2.6785 2.7149 4.3355 2.6735 4.3307 2.5272 4.0786 2.7319 4.2394
H11 2.2757 3.3201 1.1006 3.2995 2.2405 3.4473 2.2603 2.6785 2.7149 4.3355 4.3307 2.6735 4.0786 2.5272 4.2394 2.7319
H12 3.3879 2.3282 3.3881 1.0935 2.1952 3.2117 3.8078 3.5620 4.3780 2.6735 4.3307 2.6772 4.1565 4.8585 3.0947 4.0084
H13 3.3879 3.3881 2.3282 2.1952 1.0935 3.8078 3.2117 3.5620 4.3780 4.3307 2.6735 2.6772 4.8585 4.1565 4.0084 3.0947
H14 2.8191 2.2116 3.2000 3.4450 3.8816 1.1040 2.2164 3.8463 2.6281 2.5272 4.0786 4.1565 4.8585 2.3638 1.7808 2.9835
H15 2.8191 3.2000 2.2116 3.8816 3.4450 2.2164 1.1040 3.8463 2.6281 4.0786 2.5272 4.8585 4.1565 2.3638 2.9835 1.7808
H16 3.3723 2.2300 3.2340 2.6839 3.2379 1.1018 2.2366 4.3064 3.7292 2.7319 4.2394 3.0947 4.0084 1.7808 2.9835 2.4241
H17 3.3723 3.2340 2.2300 3.2379 2.6839 2.2366 1.1018 4.3064 3.7292 4.2394 2.7319 4.0084 3.0947 2.9835 1.7808 2.4241
Maximum atom distance is 4.8585Å 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 100.328 C1 C2 C6 100.329
C1 C3 C5 100.328 C1 C3 C7 100.329
C2 C1 C3 93.781 C2 C4 C5 107.378
C2 C6 C7 102.869 C3 C5 C4 107.378
C3 C7 C6 102.869 C4 C2 C6 106.013
C5 C3 C7 106.013
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.313 C1 C3 H11 117.313
C2 C1 H8 112.777 C2 C1 H9 113.405
C2 C4 H12 124.881 C2 C6 H14 110.224
C2 C6 H16 111.799 C3 C1 H8 112.777
C3 C1 H9 113.405 C3 C5 H13 124.881
C3 C7 H15 110.224 C3 C7 H17 111.799
C4 C2 H10 116.363 C4 C5 H13 127.254
C5 C3 H11 116.363 C5 C4 H12 127.254
C6 C2 H10 114.321 C6 C7 H15 111.273
C6 C7 H17 113.010 C7 C3 H11 114.321
C7 C6 H14 111.273 C7 C6 H16 113.010
H8 C1 H9 109.953 H14 C6 H16 107.668
H15 C7 H17 107.668

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