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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

MP2/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3809   0.0000 0.0000 1.3809
C2 0.0000 1.1273 0.3387   0.0000 1.1273 0.3387
C3 0.0000 -1.1273 0.3387   0.0000 -1.1273 0.3387
C4 1.2460 0.7777 -0.4910   1.2460 0.7777 -0.4910
C5 -1.2460 0.7777 -0.4910   -1.2460 0.7777 -0.4910
C6 -1.2460 -0.7777 -0.4910   -1.2460 -0.7777 -0.4910
C7 1.2460 -0.7777 -0.4910   1.2460 -0.7777 -0.4910
H8 -0.8900 0.0000 2.0134   -0.8900 0.0000 2.0134
H9 0.8900 0.0000 2.0134   0.8900 0.0000 2.0134
H10 0.0000 2.1463 0.7265   0.0000 2.1463 0.7265
H11 0.0000 -2.1463 0.7265   0.0000 -2.1463 0.7265
H12 2.1476 1.1685 -0.0161   2.1476 1.1685 -0.0161
H13 -2.1476 -1.1685 -0.0161   -2.1476 -1.1685 -0.0161
H14 2.1476 -1.1685 -0.0161   2.1476 -1.1685 -0.0161
H15 -2.1476 1.1685 -0.0161   -2.1476 1.1685 -0.0161
H16 1.1966 -1.2008 -1.4954   1.1966 -1.2008 -1.4954
H17 -1.1966 1.2008 -1.4954   -1.1966 1.2008 -1.4954
H18 1.1966 1.2008 -1.4954   1.1966 1.2008 -1.4954
H19 -1.1966 -1.2008 -1.4954   -1.1966 -1.2008 -1.4954
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5352 1.5352 2.3793 2.3793 2.3793 2.3793 1.0919 1.0919 2.2438 2.2438 2.8159 2.8159 2.8159 2.8159 3.3387 3.3387 3.3387 3.3387
C2 1.5352 2.2546 1.5372 1.5372 2.4228 2.4228 2.2062 2.2062 1.0903 3.2964 2.1771 3.1637 3.1637 2.1771 3.1963 2.1912 2.1912 3.1963
C3 1.5352 2.2546 2.4228 2.4228 1.5372 1.5372 2.2062 2.2062 3.2964 1.0903 3.1637 2.1771 2.1771 3.1637 2.1912 3.1963 3.1963 2.1912
C4 2.3793 1.5372 2.4228 2.4920 2.9376 1.5555 3.3822 2.6464 2.2153 3.4036 1.0914 3.9408 2.1969 3.4489 2.2195 2.6748 1.0910 3.3000
C5 2.3793 1.5372 2.4228 2.4920 1.5555 2.9376 2.6464 3.3822 2.2153 3.4036 3.4489 2.1969 3.9408 1.0914 3.3000 1.0910 2.6748 2.2195
C6 2.3793 2.4228 1.5372 2.9376 1.5555 2.4920 2.6464 3.3822 3.4036 2.2153 3.9408 1.0914 3.4489 2.1969 2.6748 2.2195 3.3000 1.0910
C7 2.3793 2.4228 1.5372 1.5555 2.9376 2.4920 3.3822 2.6464 3.4036 2.2153 2.1969 3.4489 1.0914 3.9408 1.0910 3.3000 2.2195 2.6748
H8 1.0919 2.2062 2.2062 3.3822 2.6464 2.6464 3.3822 1.7800 2.6561 2.6561 3.8356 2.6582 3.8356 2.6582 4.2554 3.7213 4.2554 3.7213
H9 1.0919 2.2062 2.2062 2.6464 3.3822 3.3822 2.6464 1.7800 2.6561 2.6561 2.6582 3.8356 2.6582 3.8356 3.7213 4.2554 3.7213 4.2554
H10 2.2438 1.0903 3.2964 2.2153 2.2153 3.4036 3.4036 2.6561 2.6561 4.2925 2.4738 4.0189 4.0189 2.4738 4.1919 2.6950 2.6950 4.1919
H11 2.2438 3.2964 1.0903 3.4036 3.4036 2.2153 2.2153 2.6561 2.6561 4.2925 4.0189 2.4738 2.4738 4.0189 2.6950 4.1919 4.1919 2.6950
H12 2.8159 2.1771 3.1637 1.0914 3.4489 3.9408 2.1969 3.8356 2.6582 2.4738 4.0189 4.8898 2.3370 4.2952 2.9506 3.6570 1.7589 4.3573
H13 2.8159 3.1637 2.1771 3.9408 2.1969 1.0914 3.4489 2.6582 3.8356 4.0189 2.4738 4.8898 4.2952 2.3370 3.6570 2.9506 4.3573 1.7589
H14 2.8159 3.1637 2.1771 2.1969 3.9408 3.4489 1.0914 3.8356 2.6582 4.0189 2.4738 2.3370 4.2952 4.8898 1.7589 4.3573 2.9506 3.6570
H15 2.8159 2.1771 3.1637 3.4489 1.0914 2.1969 3.9408 2.6582 3.8356 2.4738 4.0189 4.2952 2.3370 4.8898 4.3573 1.7589 3.6570 2.9506
H16 3.3387 3.1963 2.1912 2.2195 3.3000 2.6748 1.0910 4.2554 3.7213 4.1919 2.6950 2.9506 3.6570 1.7589 4.3573 3.3905 2.4016 2.3933
H17 3.3387 2.1912 3.1963 2.6748 1.0910 2.2195 3.3000 3.7213 4.2554 2.6950 4.1919 3.6570 2.9506 4.3573 1.7589 3.3905 2.3933 2.4016
H18 3.3387 2.1912 3.1963 1.0910 2.6748 3.3000 2.2195 4.2554 3.7213 2.6950 4.1919 1.7589 4.3573 2.9506 3.6570 2.4016 2.3933 3.3905
H19 3.3387 3.1963 2.1912 3.3000 2.2195 1.0910 2.6748 3.7213 4.2554 4.1919 2.6950 4.3573 1.7589 3.6570 2.9506 2.3933 2.4016 3.3905
Maximum atom distance is 4.8898Å 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 101.503 C1 C2 C5 101.503
C1 C3 C6 101.503 C1 C3 C7 101.503
C2 C1 C3 94.495 C2 C4 C7 103.143
C2 C5 C6 103.143 C3 C6 C5 103.143
C3 C7 C4 103.143 C4 C2 C5 108.298
C6 C3 C7 108.298
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.411 C1 C3 H11 116.411
C2 C1 H8 113.158 C2 C1 H9 113.158
C2 C4 H12 110.693 C2 C4 H18 111.843
C2 C5 H15 110.693 C2 C5 H17 111.843
C3 C1 H8 113.158 C3 C1 H9 113.158
C3 C6 H13 110.693 C3 C6 H19 111.843
C3 C7 H14 110.693 C3 C7 H16 111.843
C4 C2 H10 113.859 C4 C7 H14 110.981
C4 C7 H16 112.815 C5 C2 H10 113.859
C5 C6 H13 110.981 C5 C6 H19 112.815
C6 C3 H11 113.859 C6 C5 H15 110.981
C6 C5 H17 112.815 C7 C3 H11 113.859
C7 C4 H12 110.981 C7 C4 H18 112.815
H8 C1 H9 109.193 H12 C4 H18 107.404
H13 C6 H19 107.404 H14 C7 H16 107.404
H15 C5 H17 107.404

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