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Geometry for C7H12 (Norbornane) 1A1 C2V

1910171554
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2 INChIKey=UMRZSTCPUPJPOJ-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3811   0.0000 0.0000 1.3811
C2 0.0000 1.1271 0.3363   0.0000 1.1271 0.3363
C3 0.0000 -1.1271 0.3363   0.0000 -1.1271 0.3363
C4 1.2515 0.7786 -0.4905   1.2515 0.7786 -0.4905
C5 -1.2515 0.7786 -0.4905   -1.2515 0.7786 -0.4905
C6 -1.2515 -0.7786 -0.4905   -1.2515 -0.7786 -0.4905
C7 1.2515 -0.7786 -0.4905   1.2515 -0.7786 -0.4905
H8 -0.8828 0.0000 2.0139   -0.8828 0.0000 2.0139
H9 0.8828 0.0000 2.0139   0.8828 0.0000 2.0139
H10 0.0000 2.1402 0.7209   0.0000 2.1402 0.7209
H11 0.0000 -2.1402 0.7209   0.0000 -2.1402 0.7209
H12 2.1469 1.1668 -0.0149   2.1469 1.1668 -0.0149
H13 -2.1469 -1.1668 -0.0149   -2.1469 -1.1668 -0.0149
H14 2.1469 -1.1668 -0.0149   2.1469 -1.1668 -0.0149
H15 -2.1469 1.1668 -0.0149   -2.1469 1.1668 -0.0149
H16 1.2114 -1.1985 -1.4903   1.2114 -1.1985 -1.4903
H17 -1.2114 1.1985 -1.4903   -1.2114 1.1985 -1.4903
H18 1.2114 1.1985 -1.4903   1.2114 1.1985 -1.4903
H19 -1.2114 -1.1985 -1.4903   -1.2114 -1.1985 -1.4903
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5368 1.5368 2.3823 2.3823 2.3823 2.3823 1.0862 1.0862 2.2397 2.2397 2.8142 2.8142 2.8142 2.8142 3.3390 3.3390 3.3390 3.3390
C2 1.5368 2.2542 1.5399 1.5399 2.4252 2.4252 2.2055 2.2055 1.0836 3.2898 2.1759 3.1615 3.1615 2.1759 3.1957 2.1930 2.1930 3.1957
C3 1.5368 2.2542 2.4252 2.4252 1.5399 1.5399 2.2055 2.2055 3.2898 1.0836 3.1615 2.1759 2.1759 3.1615 2.1930 3.1957 3.1957 2.1930
C4 2.3823 1.5399 2.4252 2.5031 2.9479 1.5573 3.3814 2.6485 2.2108 3.3990 1.0856 3.9447 2.1938 3.4535 2.2159 2.6911 1.0852 3.3128
C5 2.3823 1.5399 2.4252 2.5031 1.5573 2.9479 2.6485 3.3814 2.2108 3.3990 3.4535 2.1938 3.9447 1.0856 3.3128 1.0852 2.6911 2.2159
C6 2.3823 2.4252 1.5399 2.9479 1.5573 2.5031 2.6485 3.3814 3.3990 2.2108 3.9447 1.0856 3.4535 2.1938 2.6911 2.2159 3.3128 1.0852
C7 2.3823 2.4252 1.5399 1.5573 2.9479 2.5031 3.3814 2.6485 3.3990 2.2108 2.1938 3.4535 1.0856 3.9447 1.0852 3.3128 2.2159 2.6911
H8 1.0862 2.2055 2.2055 3.3814 2.6485 2.6485 3.3814 1.7656 2.6517 2.6517 3.8285 2.6601 3.8285 2.6601 4.2546 3.7181 4.2546 3.7181
H9 1.0862 2.2055 2.2055 2.6485 3.3814 3.3814 2.6485 1.7656 2.6517 2.6517 2.6601 3.8285 2.6601 3.8285 3.7181 4.2546 3.7181 4.2546
H10 2.2397 1.0836 3.2898 2.2108 2.2108 3.3990 3.3990 2.6517 2.6517 4.2804 2.4695 4.0109 4.0109 2.4695 4.1838 2.6914 2.6914 4.1838
H11 2.2397 3.2898 1.0836 3.3990 3.3990 2.2108 2.2108 2.6517 2.6517 4.2804 4.0109 2.4695 2.4695 4.0109 2.6914 4.1838 4.1838 2.6914
H12 2.8142 2.1759 3.1615 1.0856 3.4535 3.9447 2.1938 3.8285 2.6601 2.4695 4.0109 4.8871 2.3337 4.2939 2.9406 3.6682 1.7473 4.3646
H13 2.8142 3.1615 2.1759 3.9447 2.1938 1.0856 3.4535 2.6601 3.8285 4.0109 2.4695 4.8871 4.2939 2.3337 3.6682 2.9406 4.3646 1.7473
H14 2.8142 3.1615 2.1759 2.1938 3.9447 3.4535 1.0856 3.8285 2.6601 4.0109 2.4695 2.3337 4.2939 4.8871 1.7473 4.3646 2.9406 3.6682
H15 2.8142 2.1759 3.1615 3.4535 1.0856 2.1938 3.9447 2.6601 3.8285 2.4695 4.0109 4.2939 2.3337 4.8871 4.3646 1.7473 3.6682 2.9406
H16 3.3390 3.1957 2.1930 2.2159 3.3128 2.6911 1.0852 4.2546 3.7181 4.1838 2.6914 2.9406 3.6682 1.7473 4.3646 3.4081 2.3970 2.4227
H17 3.3390 2.1930 3.1957 2.6911 1.0852 2.2159 3.3128 3.7181 4.2546 2.6914 4.1838 3.6682 2.9406 4.3646 1.7473 3.4081 2.4227 2.3970
H18 3.3390 2.1930 3.1957 1.0852 2.6911 3.3128 2.2159 4.2546 3.7181 2.6914 4.1838 1.7473 4.3646 2.9406 3.6682 2.3970 2.4227 3.4081
H19 3.3390 3.1957 2.1930 3.3128 2.2159 1.0852 2.6911 3.7181 4.2546 4.1838 2.6914 4.3646 1.7473 3.6682 2.9406 2.4227 2.3970 3.4081
Maximum atom distance is 4.8871Å between atoms H12 and H13.
picture of Norbornane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 101.480 C1 C2 C5 101.480
C1 C3 C6 101.480 C1 C3 C7 101.480
C2 C1 C3 94.343 C2 C4 C7 103.079
C2 C5 C6 103.079 C3 C6 C5 103.079
C3 C7 C4 103.079 C4 C2 C5 108.726
C6 C3 C7 108.726
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.382 C1 C3 H11 116.382
C2 C1 H8 113.333 C2 C1 H9 113.333
C2 C4 H12 110.747 C2 C4 H18 112.151
C2 C5 H15 110.747 C2 C5 H17 112.151
C3 C1 H8 113.333 C3 C1 H9 113.333
C3 C6 H13 110.747 C3 C6 H19 112.151
C3 C7 H14 110.747 C3 C7 H16 112.151
C4 C2 H10 113.711 C4 C7 H14 110.952
C4 C7 H16 112.763 C5 C2 H10 113.711
C5 C6 H13 110.952 C5 C6 H19 112.763
C6 C3 H11 113.711 C6 C5 H15 110.952
C6 C5 H17 112.763 C7 C3 H11 113.711
C7 C4 H12 110.952 C7 C4 H18 112.763
H8 C1 H9 108.728 H12 C4 H18 107.202
H13 C6 H19 107.202 H14 C7 H16 107.202
H15 C5 H17 107.202

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