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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

B1B95/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3762   0.0000 0.0000 1.3762
C2 0.0000 1.1229 0.3390   0.0000 1.1229 0.3390
C3 0.0000 -1.1229 0.3390   0.0000 -1.1229 0.3390
C4 1.2401 0.7749 -0.4895   1.2401 0.7749 -0.4895
C5 -1.2401 0.7749 -0.4895   -1.2401 0.7749 -0.4895
C6 -1.2401 -0.7749 -0.4895   -1.2401 -0.7749 -0.4895
C7 1.2401 -0.7749 -0.4895   1.2401 -0.7749 -0.4895
H8 -0.8884 0.0000 2.0079   -0.8884 0.0000 2.0079
H9 0.8884 0.0000 2.0079   0.8884 0.0000 2.0079
H10 0.0000 2.1385 0.7279   0.0000 2.1385 0.7279
H11 0.0000 -2.1385 0.7279   0.0000 -2.1385 0.7279
H12 2.1421 1.1654 -0.0197   2.1421 1.1654 -0.0197
H13 -2.1421 -1.1654 -0.0197   -2.1421 -1.1654 -0.0197
H14 2.1421 -1.1654 -0.0197   2.1421 -1.1654 -0.0197
H15 -2.1421 1.1654 -0.0197   -2.1421 1.1654 -0.0197
H16 1.1887 -1.1968 -1.4923   1.1887 -1.1968 -1.4923
H17 -1.1887 1.1968 -1.4923   -1.1887 1.1968 -1.4923
H18 1.1887 1.1968 -1.4923   1.1887 1.1968 -1.4923
H19 -1.1887 -1.1968 -1.4923   -1.1887 -1.1968 -1.4923
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5286 1.5286 2.3705 2.3705 2.3705 2.3705 1.0901 1.0901 2.2346 2.2346 2.8098 2.8098 2.8098 2.8098 3.3277 3.3277 3.3277 3.3277
C2 1.5286 2.2458 1.5315 1.5315 2.4136 2.4136 2.1989 2.1989 1.0876 3.2845 2.1723 3.1549 3.1549 2.1723 3.1855 2.1845 2.1845 3.1855
C3 1.5286 2.2458 2.4136 2.4136 1.5315 1.5315 2.1989 2.1989 3.2845 1.0876 3.1549 2.1723 2.1723 3.1549 2.1845 3.1855 3.1855 2.1845
C4 2.3705 1.5315 2.4136 2.4802 2.9245 1.5497 3.3716 2.6384 2.2090 3.3923 1.0895 3.9274 2.1907 3.4369 2.2126 2.6613 1.0891 3.2851
C5 2.3705 1.5315 2.4136 2.4802 1.5497 2.9245 2.6384 3.3716 2.2090 3.3923 3.4369 2.1907 3.9274 1.0895 3.2851 1.0891 2.6613 2.2126
C6 2.3705 2.4136 1.5315 2.9245 1.5497 2.4802 2.6384 3.3716 3.3923 2.2090 3.9274 1.0895 3.4369 2.1907 2.6613 2.2126 3.2851 1.0891
C7 2.3705 2.4136 1.5315 1.5497 2.9245 2.4802 3.3716 2.6384 3.3923 2.2090 2.1907 3.4369 1.0895 3.9274 1.0891 3.2851 2.2126 2.6613
H8 1.0901 2.1989 2.1989 3.3716 2.6384 2.6384 3.3716 1.7768 2.6459 2.6459 3.8279 2.6535 3.8279 2.6535 4.2424 3.7113 4.2424 3.7113
H9 1.0901 2.1989 2.1989 2.6384 3.3716 3.3716 2.6384 1.7768 2.6459 2.6459 2.6535 3.8279 2.6535 3.8279 3.7113 4.2424 3.7113 4.2424
H10 2.2346 1.0876 3.2845 2.2090 2.2090 3.3923 3.3923 2.6459 2.6459 4.2771 2.4687 4.0080 4.0080 2.4687 4.1793 2.6888 2.6888 4.1793
H11 2.2346 3.2845 1.0876 3.3923 3.3923 2.2090 2.2090 2.6459 2.6459 4.2771 4.0080 2.4687 2.4687 4.0080 2.6888 4.1793 4.1793 2.6888
H12 2.8098 2.1723 3.1549 1.0895 3.4369 3.9274 2.1907 3.8279 2.6535 2.4687 4.0080 4.8772 2.3309 4.2842 2.9424 3.6420 1.7546 4.3408
H13 2.8098 3.1549 2.1723 3.9274 2.1907 1.0895 3.4369 2.6535 3.8279 4.0080 2.4687 4.8772 4.2842 2.3309 3.6420 2.9424 4.3408 1.7546
H14 2.8098 3.1549 2.1723 2.1907 3.9274 3.4369 1.0895 3.8279 2.6535 4.0080 2.4687 2.3309 4.2842 4.8772 1.7546 4.3408 2.9424 3.6420
H15 2.8098 2.1723 3.1549 3.4369 1.0895 2.1907 3.9274 2.6535 3.8279 2.4687 4.0080 4.2842 2.3309 4.8772 4.3408 1.7546 3.6420 2.9424
H16 3.3277 3.1855 2.1845 2.2126 3.2851 2.6613 1.0891 4.2424 3.7113 4.1793 2.6888 2.9424 3.6420 1.7546 4.3408 3.3736 2.3935 2.3774
H17 3.3277 2.1845 3.1855 2.6613 1.0891 2.2126 3.2851 3.7113 4.2424 2.6888 4.1793 3.6420 2.9424 4.3408 1.7546 3.3736 2.3774 2.3935
H18 3.3277 2.1845 3.1855 1.0891 2.6613 3.2851 2.2126 4.2424 3.7113 2.6888 4.1793 1.7546 4.3408 2.9424 3.6420 2.3935 2.3774 3.3736
H19 3.3277 3.1855 2.1845 3.2851 2.2126 1.0891 2.6613 3.7113 4.2424 4.1793 2.6888 4.3408 1.7546 3.6420 2.9424 2.3774 2.3935 3.3736
Maximum atom distance is 4.8772Å 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 101.546 C1 C2 C5 101.546
C1 C3 C6 101.546 C1 C3 C7 101.546
C2 C1 C3 94.542 C2 C4 C7 103.135
C2 C5 C6 103.135 C3 C6 C5 103.135
C3 C7 C4 103.135 C4 C2 C5 108.141
C6 C3 C7 108.141
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.318 C1 C3 H11 116.318
C2 C1 H8 113.154 C2 C1 H9 113.154
C2 C4 H12 110.831 C2 C4 H18 111.831
C2 C5 H15 110.831 C2 C5 H17 111.831
C3 C1 H8 113.154 C3 C1 H9 113.154
C3 C6 H13 110.831 C3 C6 H19 111.831
C3 C7 H14 110.831 C3 C7 H16 111.831
C4 C2 H10 113.934 C4 C7 H14 111.009
C4 C7 H16 112.791 C5 C2 H10 113.934
C5 C6 H13 111.009 C5 C6 H19 112.791
C6 C3 H11 113.934 C6 C5 H15 111.009
C6 C5 H17 112.791 C7 C3 H11 113.934
C7 C4 H12 111.009 C7 C4 H18 112.791
H8 C1 H9 109.171 H12 C4 H18 107.294
H13 C6 H19 107.294 H14 C7 H16 107.294
H15 C5 H17 107.294

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