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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

B1B95/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3794   0.0000 0.0000 1.3794
C2 0.0000 1.1259 0.3390   0.0000 1.1259 0.3390
C3 0.0000 -1.1259 0.3390   0.0000 -1.1259 0.3390
C4 1.2453 0.7770 -0.4906   1.2453 0.7770 -0.4906
C5 -1.2453 0.7770 -0.4906   -1.2453 0.7770 -0.4906
C6 -1.2453 -0.7770 -0.4906   -1.2453 -0.7770 -0.4906
C7 1.2453 -0.7770 -0.4906   1.2453 -0.7770 -0.4906
H8 -0.8914 0.0000 2.0150   -0.8914 0.0000 2.0150
H9 0.8914 0.0000 2.0150   0.8914 0.0000 2.0150
H10 0.0000 2.1461 0.7293   0.0000 2.1461 0.7293
H11 0.0000 -2.1461 0.7293   0.0000 -2.1461 0.7293
H12 2.1498 1.1705 -0.0173   2.1498 1.1705 -0.0173
H13 -2.1498 -1.1705 -0.0173   -2.1498 -1.1705 -0.0173
H14 2.1498 -1.1705 -0.0173   2.1498 -1.1705 -0.0173
H15 -2.1498 1.1705 -0.0173   -2.1498 1.1705 -0.0173
H16 1.1963 -1.2010 -1.4976   1.1963 -1.2010 -1.4976
H17 -1.1963 1.2010 -1.4976   -1.1963 1.2010 -1.4976
H18 1.1963 1.2010 -1.4976   1.1963 1.2010 -1.4976
H19 -1.1963 -1.2010 -1.4976   -1.1963 -1.2010 -1.4976
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5330 1.5330 2.3773 2.3773 2.3773 2.3773 1.0948 1.0948 2.2424 2.2424 2.8182 2.8182 2.8182 2.8182 3.3393 3.3393 3.3393 3.3393
C2 1.5330 2.2518 1.5365 1.5365 2.4208 2.4208 2.2071 2.2071 1.0923 3.2952 2.1795 3.1658 3.1658 2.1795 3.1967 2.1932 2.1932 3.1967
C3 1.5330 2.2518 2.4208 2.4208 1.5365 1.5365 2.2071 2.2071 3.2952 1.0923 3.1658 2.1795 2.1795 3.1658 2.1932 3.1967 3.1967 2.1932
C4 2.3773 1.5365 2.4208 2.4906 2.9357 1.5540 3.3834 2.6471 2.2166 3.4034 1.0940 3.9425 2.1989 3.4504 2.2202 2.6750 1.0938 3.2997
C5 2.3773 1.5365 2.4208 2.4906 1.5540 2.9357 2.6471 3.3834 2.2166 3.4034 3.4504 2.1989 3.9425 1.0940 3.2997 1.0938 2.6750 2.2202
C6 2.3773 2.4208 1.5365 2.9357 1.5540 2.4906 2.6471 3.3834 3.4034 2.2166 3.9425 1.0940 3.4504 2.1989 2.6750 2.2202 3.2997 1.0938
C7 2.3773 2.4208 1.5365 1.5540 2.9357 2.4906 3.3834 2.6471 3.4034 2.2166 2.1989 3.4504 1.0940 3.9425 1.0938 3.2997 2.2202 2.6750
H8 1.0948 2.2071 2.2071 3.3834 2.6471 2.6471 3.3834 1.7827 2.6558 2.6558 3.8404 2.6616 3.8404 2.6616 4.2591 3.7248 4.2591 3.7248
H9 1.0948 2.2071 2.2071 2.6471 3.3834 3.3834 2.6471 1.7827 2.6558 2.6558 2.6616 3.8404 2.6616 3.8404 3.7248 4.2591 3.7248 4.2591
H10 2.2424 1.0923 3.2952 2.2166 2.2166 3.4034 3.4034 2.6558 2.6558 4.2922 2.4760 4.0223 4.0223 2.4760 4.1945 2.6988 2.6988 4.1945
H11 2.2424 3.2952 1.0923 3.4034 3.4034 2.2166 2.2166 2.6558 2.6558 4.2922 4.0223 2.4760 2.4760 4.0223 2.6988 4.1945 4.1945 2.6988
H12 2.8182 2.1795 3.1658 1.0940 3.4504 3.9425 2.1989 3.8404 2.6616 2.4760 4.0223 4.8956 2.3411 4.2995 2.9538 3.6590 1.7611 4.3603
H13 2.8182 3.1658 2.1795 3.9425 2.1989 1.0940 3.4504 2.6616 3.8404 4.0223 2.4760 4.8956 4.2995 2.3411 3.6590 2.9538 4.3603 1.7611
H14 2.8182 3.1658 2.1795 2.1989 3.9425 3.4504 1.0940 3.8404 2.6616 4.0223 2.4760 2.3411 4.2995 4.8956 1.7611 4.3603 2.9538 3.6590
H15 2.8182 2.1795 3.1658 3.4504 1.0940 2.1989 3.9425 2.6616 3.8404 2.4760 4.0223 4.2995 2.3411 4.8956 4.3603 1.7611 3.6590 2.9538
H16 3.3393 3.1967 2.1932 2.2202 3.2997 2.6750 1.0938 4.2591 3.7248 4.1945 2.6988 2.9538 3.6590 1.7611 4.3603 3.3904 2.4021 2.3926
H17 3.3393 2.1932 3.1967 2.6750 1.0938 2.2202 3.2997 3.7248 4.2591 2.6988 4.1945 3.6590 2.9538 4.3603 1.7611 3.3904 2.3926 2.4021
H18 3.3393 2.1932 3.1967 1.0938 2.6750 3.2997 2.2202 4.2591 3.7248 2.6988 4.1945 1.7611 4.3603 2.9538 3.6590 2.4021 2.3926 3.3904
H19 3.3393 3.1967 2.1932 3.2997 2.2202 1.0938 2.6750 3.7248 4.2591 4.1945 2.6988 4.3603 1.7611 3.6590 2.9538 2.3926 2.4021 3.3904
Maximum atom distance is 4.8956Å 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 101.517 C1 C2 C5 101.517
C1 C3 C6 101.517 C1 C3 C7 101.517
C2 C1 C3 94.520 C2 C4 C7 103.126
C2 C5 C6 103.126 C3 C6 C5 103.126
C3 C7 C4 103.126 C4 C2 C5 108.287
C6 C3 C7 108.287
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.324 C1 C3 H11 116.324
C2 C1 H8 113.205 C2 C1 H9 113.205
C2 C4 H12 110.777 C2 C4 H18 111.886
C2 C5 H15 110.777 C2 C5 H17 111.886
C3 C1 H8 113.205 C3 C1 H9 113.205
C3 C6 H13 110.777 C3 C6 H19 111.886
C3 C7 H14 110.777 C3 C7 H16 111.886
C4 C2 H10 113.893 C4 C7 H14 111.083
C4 C7 H16 112.811 C5 C2 H10 113.893
C5 C6 H13 111.083 C5 C6 H19 112.811
C6 C3 H11 113.893 C6 C5 H15 111.083
C6 C5 H17 112.811 C7 C3 H11 113.893
C7 C4 H12 111.083 C7 C4 H18 112.811
H8 C1 H9 109.018 H12 C4 H18 107.213
H13 C6 H19 107.213 H14 C7 H16 107.213
H15 C5 H17 107.213

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