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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

QCISD/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4122   0.0000 0.0000 1.4122
C2 0.0000 1.1520 0.3512   0.0000 1.1520 0.3512
C3 0.0000 -1.1520 0.3512   0.0000 -1.1520 0.3512
C4 1.2633 0.7945 -0.5032   1.2633 0.7945 -0.5032
C5 -1.2633 0.7945 -0.5032   -1.2633 0.7945 -0.5032
C6 -1.2633 -0.7945 -0.5032   -1.2633 -0.7945 -0.5032
C7 1.2633 -0.7945 -0.5032   1.2633 -0.7945 -0.5032
H8 -0.9023 0.0000 2.0394   -0.9023 0.0000 2.0394
H9 0.9023 0.0000 2.0394   0.9023 0.0000 2.0394
H10 0.0000 2.1757 0.7423   0.0000 2.1757 0.7423
H11 0.0000 -2.1757 0.7423   0.0000 -2.1757 0.7423
H12 2.1754 1.1816 -0.0263   2.1754 1.1816 -0.0263
H13 -2.1754 -1.1816 -0.0263   -2.1754 -1.1816 -0.0263
H14 2.1754 -1.1816 -0.0263   2.1754 -1.1816 -0.0263
H15 -2.1754 1.1816 -0.0263   -2.1754 1.1816 -0.0263
H16 1.1935 -1.2113 -1.5173   1.1935 -1.2113 -1.5173
H17 -1.1935 1.2113 -1.5173   -1.1935 1.2113 -1.5173
H18 1.1935 1.2113 -1.5173   1.1935 1.2113 -1.5173
H19 -1.1935 -1.2113 -1.5173   -1.1935 -1.2113 -1.5173
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5661 1.5661 2.4282 2.4282 2.4282 2.4282 1.0990 1.0990 2.2765 2.2765 2.8632 2.8632 2.8632 2.8632 3.3873 3.3873 3.3873 3.3873
C2 1.5661 2.3040 1.5665 1.5665 2.4729 2.4729 2.2341 2.2341 1.0959 3.3506 2.2081 3.2125 3.2125 2.2081 3.2405 2.2180 2.2180 3.2405
C3 1.5661 2.3040 2.4729 2.4729 1.5665 1.5665 2.2341 2.2341 3.3506 1.0959 3.2125 2.2081 2.2081 3.2125 2.2180 3.2405 3.2405 2.2180
C4 2.4282 1.5665 2.4729 2.5267 2.9849 1.5891 3.4332 2.6882 2.2483 3.4597 1.0996 3.9947 2.2281 3.4932 2.2487 2.6904 1.0986 3.3298
C5 2.4282 1.5665 2.4729 2.5267 1.5891 2.9849 2.6882 3.4332 2.2483 3.4597 3.4932 2.2281 3.9947 1.0996 3.3298 1.0986 2.6904 2.2487
C6 2.4282 2.4729 1.5665 2.9849 1.5891 2.5267 2.6882 3.4332 3.4597 2.2483 3.9947 1.0996 3.4932 2.2281 2.6904 2.2487 3.3298 1.0986
C7 2.4282 2.4729 1.5665 1.5891 2.9849 2.5267 3.4332 2.6882 3.4597 2.2483 2.2281 3.4932 1.0996 3.9947 1.0986 3.3298 2.2487 2.6904
H8 1.0990 2.2341 2.2341 3.4332 2.6882 2.6882 3.4332 1.8047 2.6890 2.6890 3.8905 2.6989 3.8905 2.6989 4.3024 3.7686 4.3024 3.7686
H9 1.0990 2.2341 2.2341 2.6882 3.4332 3.4332 2.6882 1.8047 2.6890 2.6890 2.6989 3.8905 2.6989 3.8905 3.7686 4.3024 3.7686 4.3024
H10 2.2765 1.0959 3.3506 2.2483 2.2483 3.4597 3.4597 2.6890 2.6890 4.3514 2.5123 4.0736 4.0736 2.5123 4.2429 2.7314 2.7314 4.2429
H11 2.2765 3.3506 1.0959 3.4597 3.4597 2.2483 2.2483 2.6890 2.6890 4.3514 4.0736 2.5123 2.5123 4.0736 2.7314 4.2429 4.2429 2.7314
H12 2.8632 2.2081 3.2125 1.0996 3.4932 3.9947 2.2281 3.8905 2.6989 2.5123 4.0736 4.9512 2.3631 4.3509 2.9855 3.6842 1.7856 4.3930
H13 2.8632 3.2125 2.2081 3.9947 2.2281 1.0996 3.4932 2.6989 3.8905 4.0736 2.5123 4.9512 4.3509 2.3631 3.6842 2.9855 4.3930 1.7856
H14 2.8632 3.2125 2.2081 2.2281 3.9947 3.4932 1.0996 3.8905 2.6989 4.0736 2.5123 2.3631 4.3509 4.9512 1.7856 4.3930 2.9855 3.6842
H15 2.8632 2.2081 3.2125 3.4932 1.0996 2.2281 3.9947 2.6989 3.8905 2.5123 4.0736 4.3509 2.3631 4.9512 4.3930 1.7856 3.6842 2.9855
H16 3.3873 3.2405 2.2180 2.2487 3.3298 2.6904 1.0986 4.3024 3.7686 4.2429 2.7314 2.9855 3.6842 1.7856 4.3930 3.4009 2.4225 2.3870
H17 3.3873 2.2180 3.2405 2.6904 1.0986 2.2487 3.3298 3.7686 4.3024 2.7314 4.2429 3.6842 2.9855 4.3930 1.7856 3.4009 2.3870 2.4225
H18 3.3873 2.2180 3.2405 1.0986 2.6904 3.3298 2.2487 4.3024 3.7686 2.7314 4.2429 1.7856 4.3930 2.9855 3.6842 2.4225 2.3870 3.4009
H19 3.3873 3.2405 2.2180 3.3298 2.2487 1.0986 2.6904 3.7686 4.3024 4.2429 2.7314 4.3930 1.7856 3.6842 2.9855 2.3870 2.4225 3.4009
Maximum atom distance is 4.9512Å 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 101.634 C1 C2 C5 101.634
C1 C3 C6 101.634 C1 C3 C7 101.634
C2 C1 C3 94.712 C2 C4 C7 103.190
C2 C5 C6 103.190 C3 C6 C5 103.190
C3 C7 C4 103.190 C4 C2 C5 107.508
C6 C3 C7 107.508
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.448 C1 C3 H11 116.448
C2 C1 H8 112.748 C2 C1 H9 112.748
C2 C4 H12 110.615 C2 C4 H18 111.447
C2 C5 H15 110.615 C2 C5 H17 111.447
C3 C1 H8 112.748 C3 C1 H9 112.748
C3 C6 H13 110.615 C3 C6 H19 111.447
C3 C7 H14 110.615 C3 C7 H16 111.447
C4 C2 H10 114.067 C4 C7 H14 110.607
C4 C7 H16 112.291 C5 C2 H10 114.067
C5 C6 H13 110.607 C5 C6 H19 112.291
C6 C3 H11 114.067 C6 C5 H15 110.607
C6 C5 H17 112.291 C7 C3 H11 114.067
C7 C4 H12 110.607 C7 C4 H18 112.291
H8 C1 H9 110.390 H12 C4 H18 108.639
H13 C6 H19 108.639 H14 C7 H16 108.639
H15 C5 H17 108.639

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