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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

B3LYP/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 1.4029   0.0000 0.0000 1.4029
C2 0.0000 1.1439 0.3490   0.0000 1.1439 0.3490
C3 0.0000 -1.1439 0.3490   0.0000 -1.1439 0.3490
C4 1.2559 0.7891 -0.5001   1.2559 0.7891 -0.5001
C5 -1.2559 0.7891 -0.5001   -1.2559 0.7891 -0.5001
C6 -1.2559 -0.7891 -0.5001   -1.2559 -0.7891 -0.5001
C7 1.2559 -0.7891 -0.5001   1.2559 -0.7891 -0.5001
H8 -0.8976 0.0000 2.0297   -0.8976 0.0000 2.0297
H9 0.8976 0.0000 2.0297   0.8976 0.0000 2.0297
H10 0.0000 2.1623 0.7417   0.0000 2.1623 0.7417
H11 0.0000 -2.1623 0.7417   0.0000 -2.1623 0.7417
H12 2.1642 1.1758 -0.0260   2.1642 1.1758 -0.0260
H13 -2.1642 -1.1758 -0.0260   -2.1642 -1.1758 -0.0260
H14 2.1642 -1.1758 -0.0260   2.1642 -1.1758 -0.0260
H15 -2.1642 1.1758 -0.0260   -2.1642 1.1758 -0.0260
H16 1.1873 -1.2043 -1.5101   1.1873 -1.2043 -1.5101
H17 -1.1873 1.2043 -1.5101   -1.1873 1.2043 -1.5101
H18 1.1873 1.2043 -1.5101   1.1873 1.2043 -1.5101
H19 -1.1873 -1.2043 -1.5101   -1.1873 -1.2043 -1.5101
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5554 1.5554 2.4128 2.4128 2.4128 2.4128 1.0948 1.0948 2.2611 2.2611 2.8475 2.8475 2.8475 2.8475 3.3683 3.3683 3.3683 3.3683
C2 1.5554 2.2878 1.5570 1.5570 2.4566 2.4566 2.2224 2.2224 1.0915 3.3294 2.1967 3.1946 3.1946 2.1967 3.2217 2.2067 2.2067 3.2217
C3 1.5554 2.2878 2.4566 2.4566 1.5570 1.5570 2.2224 2.2224 3.3294 1.0915 3.1946 2.1967 2.1967 3.1946 2.2067 3.2217 3.2217 2.2067
C4 2.4128 1.5570 2.4566 2.5119 2.9665 1.5783 3.4148 2.6742 2.2372 3.4395 1.0951 3.9728 2.2160 3.4744 2.2357 2.6761 1.0941 3.3110
C5 2.4128 1.5570 2.4566 2.5119 1.5783 2.9665 2.6742 3.4148 2.2372 3.4395 3.4744 2.2160 3.9728 1.0951 3.3110 1.0941 2.6761 2.2357
C6 2.4128 2.4566 1.5570 2.9665 1.5783 2.5119 2.6742 3.4148 3.4395 2.2372 3.9728 1.0951 3.4744 2.2160 2.6761 2.2357 3.3110 1.0941
C7 2.4128 2.4566 1.5570 1.5783 2.9665 2.5119 3.4148 2.6742 3.4395 2.2372 2.2160 3.4744 1.0951 3.9728 1.0941 3.3110 2.2357 2.6761
H8 1.0948 2.2224 2.2224 3.4148 2.6742 2.6742 3.4148 1.7953 2.6721 2.6721 3.8708 2.6856 3.8708 2.6856 4.2811 3.7503 4.2811 3.7503
H9 1.0948 2.2224 2.2224 2.6742 3.4148 3.4148 2.6742 1.7953 2.6721 2.6721 2.6856 3.8708 2.6856 3.8708 3.7503 4.2811 3.7503 4.2811
H10 2.2611 1.0915 3.3294 2.2372 2.2372 3.4395 3.4395 2.6721 2.6721 4.3245 2.4992 4.0516 4.0516 2.4992 4.2206 2.7199 2.7199 4.2206
H11 2.2611 3.3294 1.0915 3.4395 3.4395 2.2372 2.2372 2.6721 2.6721 4.3245 4.0516 2.4992 2.4992 4.0516 2.7199 4.2206 4.2206 2.7199
H12 2.8475 2.1967 3.1946 1.0951 3.4744 3.9728 2.2160 3.8708 2.6856 2.4992 4.0516 4.9259 2.3517 4.3284 2.9701 3.6655 1.7770 4.3703
H13 2.8475 3.1946 2.1967 3.9728 2.2160 1.0951 3.4744 2.6856 3.8708 4.0516 2.4992 4.9259 4.3284 2.3517 3.6655 2.9701 4.3703 1.7770
H14 2.8475 3.1946 2.1967 2.2160 3.9728 3.4744 1.0951 3.8708 2.6856 4.0516 2.4992 2.3517 4.3284 4.9259 1.7770 4.3703 2.9701 3.6655
H15 2.8475 2.1967 3.1946 3.4744 1.0951 2.2160 3.9728 2.6856 3.8708 2.4992 4.0516 4.3284 2.3517 4.9259 4.3703 1.7770 3.6655 2.9701
H16 3.3683 3.2217 2.2067 2.2357 3.3110 2.6761 1.0941 4.2811 3.7503 4.2206 2.7199 2.9701 3.6655 1.7770 4.3703 3.3822 2.4085 2.3746
H17 3.3683 2.2067 3.2217 2.6761 1.0941 2.2357 3.3110 3.7503 4.2811 2.7199 4.2206 3.6655 2.9701 4.3703 1.7770 3.3822 2.3746 2.4085
H18 3.3683 2.2067 3.2217 1.0941 2.6761 3.3110 2.2357 4.2811 3.7503 2.7199 4.2206 1.7770 4.3703 2.9701 3.6655 2.4085 2.3746 3.3822
H19 3.3683 3.2217 2.2067 3.3110 2.2357 1.0941 2.6761 3.7503 4.2811 4.2206 2.7199 4.3703 1.7770 3.6655 2.9701 2.3746 2.4085 3.3822
Maximum atom distance is 4.9259Å 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 101.652 C1 C2 C5 101.652
C1 C3 C6 101.652 C1 C3 C7 101.652
C2 C1 C3 94.688 C2 C4 C7 103.170
C2 C5 C6 103.170 C3 C6 C5 103.170
C3 C7 C4 103.170 C4 C2 C5 107.538
C6 C3 C7 107.538
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.258 C1 C3 H11 116.258
C2 C1 H8 112.826 C2 C1 H9 112.826
C2 C4 H12 110.636 C2 C4 H18 111.492
C2 C5 H15 110.636 C2 C5 H17 111.492
C3 C1 H8 112.826 C3 C1 H9 112.826
C3 C6 H13 110.636 C3 C6 H19 111.492
C3 C7 H14 110.636 C3 C7 H16 111.492
C4 C2 H10 114.129 C4 C7 H14 110.678
C4 C7 H16 112.297 C5 C2 H10 114.129
C5 C6 H13 110.678 C5 C6 H19 112.297
C6 C3 H11 114.129 C6 C5 H15 110.678
C6 C5 H17 112.297 C7 C3 H11 114.129
C7 C4 H12 110.678 C7 C4 H18 112.297
H8 C1 H9 110.147 H12 C4 H18 108.525
H13 C6 H19 108.525 H14 C7 H16 108.525
H15 C5 H17 108.525

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