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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

PBEPBE/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3890   0.0000 0.0000 1.3890
C2 0.0000 1.1345 0.3413   0.0000 1.1345 0.3413
C3 0.0000 -1.1345 0.3413   0.0000 -1.1345 0.3413
C4 1.2543 0.7825 -0.4940   1.2543 0.7825 -0.4940
C5 -1.2543 0.7825 -0.4940   -1.2543 0.7825 -0.4940
C6 -1.2543 -0.7825 -0.4940   -1.2543 -0.7825 -0.4940
C7 1.2543 -0.7825 -0.4940   1.2543 -0.7825 -0.4940
H8 -0.8963 0.0000 2.0313   -0.8963 0.0000 2.0313
H9 0.8963 0.0000 2.0313   0.8963 0.0000 2.0313
H10 0.0000 2.1618 0.7361   0.0000 2.1618 0.7361
H11 0.0000 -2.1618 0.7361   0.0000 -2.1618 0.7361
H12 2.1655 1.1810 -0.0191   2.1655 1.1810 -0.0191
H13 -2.1655 -1.1810 -0.0191   -2.1655 -1.1810 -0.0191
H14 2.1655 -1.1810 -0.0191   2.1655 -1.1810 -0.0191
H15 -2.1655 1.1810 -0.0191   -2.1655 1.1810 -0.0191
H16 1.2057 -1.2098 -1.5083   1.2057 -1.2098 -1.5083
H17 -1.2057 1.2098 -1.5083   -1.2057 1.2098 -1.5083
H18 1.2057 1.2098 -1.5083   1.2057 1.2098 -1.5083
H19 -1.2057 -1.2098 -1.5083   -1.2057 -1.2098 -1.5083
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5443 1.5443 2.3940 2.3940 2.3940 2.3940 1.1026 1.1026 2.2582 2.2582 2.8402 2.8402 2.8402 2.8402 3.3633 3.3633 3.3633 3.3633
C2 1.5443 2.2691 1.5476 1.5476 2.4385 2.4385 2.2241 2.2241 1.1005 3.3198 2.1958 3.1908 3.1908 2.1958 3.2204 2.2092 2.2092 3.2204
C3 1.5443 2.2691 2.4385 2.4385 1.5476 1.5476 2.2241 2.2241 3.3198 1.1005 3.1908 2.1958 2.1958 3.1908 2.2092 3.2204 3.2204 2.2092
C4 2.3940 1.5476 2.4385 2.5086 2.9568 1.5651 3.4080 2.6679 2.2335 3.4286 1.1021 3.9720 2.2161 3.4756 2.2362 2.6950 1.1017 3.3242
C5 2.3940 1.5476 2.4385 2.5086 1.5651 2.9568 2.6679 3.4080 2.2335 3.4286 3.4756 2.2161 3.9720 1.1021 3.3242 1.1017 2.6950 2.2362
C6 2.3940 2.4385 1.5476 2.9568 1.5651 2.5086 2.6679 3.4080 3.4286 2.2335 3.9720 1.1021 3.4756 2.2161 2.6950 2.2362 3.3242 1.1017
C7 2.3940 2.4385 1.5476 1.5651 2.9568 2.5086 3.4080 2.6679 3.4286 2.2335 2.2161 3.4756 1.1021 3.9720 1.1017 3.3242 2.2362 2.6950
H8 1.1026 2.2241 2.2241 3.4080 2.6679 2.6679 3.4080 1.7925 2.6747 2.6747 3.8695 2.6851 3.8695 2.6851 4.2908 3.7534 4.2908 3.7534
H9 1.1026 2.2241 2.2241 2.6679 3.4080 3.4080 2.6679 1.7925 2.6747 2.6747 2.6851 3.8695 2.6851 3.8695 3.7534 4.2908 3.7534 4.2908
H10 2.2582 1.1005 3.3198 2.2335 2.2335 3.4286 3.4286 2.6747 2.6747 4.3235 2.4943 4.0539 4.0539 2.4943 4.2259 2.7198 2.7198 4.2259
H11 2.2582 3.3198 1.1005 3.4286 3.4286 2.2335 2.2335 2.6747 2.6747 4.3235 4.0539 2.4943 2.4943 4.0539 2.7198 4.2259 4.2259 2.7198
H12 2.8402 2.1958 3.1908 1.1021 3.4756 3.9720 2.2161 3.8695 2.6851 2.4943 4.0539 4.9333 2.3620 4.3311 2.9757 3.6856 1.7720 4.3931
H13 2.8402 3.1908 2.1958 3.9720 2.2161 1.1021 3.4756 2.6851 3.8695 4.0539 2.4943 4.9333 4.3311 2.3620 3.6856 2.9757 4.3931 1.7720
H14 2.8402 3.1908 2.1958 2.2161 3.9720 3.4756 1.1021 3.8695 2.6851 4.0539 2.4943 2.3620 4.3311 4.9333 1.7720 4.3931 2.9757 3.6856
H15 2.8402 2.1958 3.1908 3.4756 1.1021 2.2161 3.9720 2.6851 3.8695 2.4943 4.0539 4.3311 2.3620 4.9333 4.3931 1.7720 3.6856 2.9757
H16 3.3633 3.2204 2.2092 2.2362 3.3242 2.6950 1.1017 4.2908 3.7534 4.2259 2.7198 2.9757 3.6856 1.7720 4.3931 3.4160 2.4196 2.4114
H17 3.3633 2.2092 3.2204 2.6950 1.1017 2.2362 3.3242 3.7534 4.2908 2.7198 4.2259 3.6856 2.9757 4.3931 1.7720 3.4160 2.4114 2.4196
H18 3.3633 2.2092 3.2204 1.1017 2.6950 3.3242 2.2362 4.2908 3.7534 2.7198 4.2259 1.7720 4.3931 2.9757 3.6856 2.4196 2.4114 3.4160
H19 3.3633 3.2204 2.2092 3.3242 2.2362 1.1017 2.6950 3.7534 4.2908 4.2259 2.7198 4.3931 1.7720 3.6856 2.9757 2.4114 2.4196 3.4160
Maximum atom distance is 4.9333Å 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 101.483 C1 C2 C5 101.483
C1 C3 C6 101.483 C1 C3 C7 101.483
C2 C1 C3 94.559 C2 C4 C7 103.147
C2 C5 C6 103.147 C3 C6 C5 103.147
C3 C7 C4 103.147 C4 C2 C5 108.294
C6 C3 C7 108.294
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.257 C1 C3 H11 116.257
C2 C1 H8 113.278 C2 C1 H9 113.278
C2 C4 H12 110.814 C2 C4 H18 111.898
C2 C5 H15 110.814 C2 C5 H17 111.898
C3 C1 H8 113.278 C3 C1 H9 113.278
C3 C6 H13 110.814 C3 C6 H19 111.898
C3 C7 H14 110.814 C3 C7 H16 111.898
C4 C2 H10 113.950 C4 C7 H14 111.195
C4 C7 H16 112.818 C5 C2 H10 113.950
C5 C6 H13 111.195 C5 C6 H19 112.818
C6 C3 H11 113.950 C6 C5 H15 111.195
C6 C5 H17 112.818 C7 C3 H11 113.950
C7 C4 H12 111.195 C7 C4 H18 112.818
H8 C1 H9 108.746 H12 C4 H18 107.037
H13 C6 H19 107.037 H14 C7 H16 107.037
H15 C5 H17 107.037

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