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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/CEP-121G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3896   0.0000 0.0000 1.3896
C2 0.0000 1.1360 0.3417   0.0000 1.1360 0.3417
C3 0.0000 -1.1360 0.3417   0.0000 -1.1360 0.3417
C4 1.2540 0.7843 -0.4942   1.2540 0.7843 -0.4942
C5 -1.2540 0.7843 -0.4942   -1.2540 0.7843 -0.4942
C6 -1.2540 -0.7843 -0.4942   -1.2540 -0.7843 -0.4942
C7 1.2540 -0.7843 -0.4942   1.2540 -0.7843 -0.4942
H8 -0.8948 0.0000 2.0262   -0.8948 0.0000 2.0262
H9 0.8948 0.0000 2.0262   0.8948 0.0000 2.0262
H10 0.0000 2.1601 0.7335   0.0000 2.1601 0.7335
H11 0.0000 -2.1601 0.7335   0.0000 -2.1601 0.7335
H12 2.1618 1.1766 -0.0187   2.1618 1.1766 -0.0187
H13 -2.1618 -1.1766 -0.0187   -2.1618 -1.1766 -0.0187
H14 2.1618 -1.1766 -0.0187   2.1618 -1.1766 -0.0187
H15 -2.1618 1.1766 -0.0187   -2.1618 1.1766 -0.0187
H16 1.2017 -1.2071 -1.5053   1.2017 -1.2071 -1.5053
H17 -1.2017 1.2071 -1.5053   -1.2017 1.2071 -1.5053
H18 1.2017 1.2071 -1.5053   1.2017 1.2071 -1.5053
H19 -1.2017 -1.2071 -1.5053   -1.2017 -1.2071 -1.5053
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5455 1.5455 2.3952 2.3952 2.3952 2.3952 1.0981 1.0981 2.2575 2.2575 2.8357 2.8357 2.8357 2.8357 3.3588 3.3588 3.3588 3.3588
C2 1.5455 2.2720 1.5476 1.5476 2.4411 2.4411 2.2200 2.2200 1.0965 3.3193 2.1920 3.1861 3.1861 2.1920 3.2164 2.2046 2.2046 3.2164
C3 1.5455 2.2720 2.4411 2.4411 1.5476 1.5476 2.2200 2.2200 3.3193 1.0965 3.1861 2.1920 2.1920 3.1861 2.2046 3.2164 3.2164 2.2046
C4 2.3952 1.5476 2.4411 2.5080 2.9582 1.5687 3.4037 2.6640 2.2299 3.4277 1.0973 3.9673 2.2126 3.4710 2.2340 2.6891 1.0971 3.3194
C5 2.3952 1.5476 2.4411 2.5080 1.5687 2.9582 2.6640 3.4037 2.2299 3.4277 3.4710 2.2126 3.9673 1.0973 3.3194 1.0971 2.6891 2.2340
C6 2.3952 2.4411 1.5476 2.9582 1.5687 2.5080 2.6640 3.4037 3.4277 2.2299 3.9673 1.0973 3.4710 2.2126 2.6891 2.2340 3.3194 1.0971
C7 2.3952 2.4411 1.5476 1.5687 2.9582 2.5080 3.4037 2.6640 3.4277 2.2299 2.2126 3.4710 1.0973 3.9673 1.0971 3.3194 2.2340 2.6891
H8 1.0981 2.2200 2.2200 3.4037 2.6640 2.6640 3.4037 1.7896 2.6716 2.6716 3.8612 2.6779 3.8612 2.6779 4.2806 3.7446 4.2806 3.7446
H9 1.0981 2.2200 2.2200 2.6640 3.4037 3.4037 2.6640 1.7896 2.6716 2.6716 2.6779 3.8612 2.6779 3.8612 3.7446 4.2806 3.7446 4.2806
H10 2.2575 1.0965 3.3193 2.2299 2.2299 3.4277 3.4277 2.6716 2.6716 4.3201 2.4913 4.0463 4.0463 2.4913 4.2183 2.7137 2.7137 4.2183
H11 2.2575 3.3193 1.0965 3.4277 3.4277 2.2299 2.2299 2.6716 2.6716 4.3201 4.0463 2.4913 2.4913 4.0463 2.7137 4.2183 4.2183 2.7137
H12 2.8357 2.1920 3.1861 1.0973 3.4710 3.9673 2.2126 3.8612 2.6779 2.4913 4.0463 4.9225 2.3532 4.3237 2.9688 3.6775 1.7700 4.3824
H13 2.8357 3.1861 2.1920 3.9673 2.2126 1.0973 3.4710 2.6779 3.8612 4.0463 2.4913 4.9225 4.3237 2.3532 3.6775 2.9688 4.3824 1.7700
H14 2.8357 3.1861 2.1920 2.2126 3.9673 3.4710 1.0973 3.8612 2.6779 4.0463 2.4913 2.3532 4.3237 4.9225 1.7700 4.3824 2.9688 3.6775
H15 2.8357 2.1920 3.1861 3.4710 1.0973 2.2126 3.9673 2.6779 3.8612 2.4913 4.0463 4.3237 2.3532 4.9225 4.3824 1.7700 3.6775 2.9688
H16 3.3588 3.2164 2.2046 2.2340 3.3194 2.6891 1.0971 4.2806 3.7446 4.2183 2.7137 2.9688 3.6775 1.7700 4.3824 3.4066 2.4143 2.4033
H17 3.3588 2.2046 3.2164 2.6891 1.0971 2.2340 3.3194 3.7446 4.2806 2.7137 4.2183 3.6775 2.9688 4.3824 1.7700 3.4066 2.4033 2.4143
H18 3.3588 2.2046 3.2164 1.0971 2.6891 3.3194 2.2340 4.2806 3.7446 2.7137 4.2183 1.7700 4.3824 2.9688 3.6775 2.4143 2.4033 3.4066
H19 3.3588 3.2164 2.2046 3.3194 2.2340 1.0971 2.6891 3.7446 4.2806 4.2183 2.7137 4.3824 1.7700 3.6775 2.9688 2.4033 2.4143 3.4066
Maximum atom distance is 4.9225Å 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 101.493 C1 C2 C5 101.493
C1 C3 C6 101.493 C1 C3 C7 101.493
C2 C1 C3 94.617 C2 C4 C7 103.134
C2 C5 C6 103.134 C3 C6 C5 103.134
C3 C7 C4 103.134 C4 C2 C5 108.251
C6 C3 C7 108.251
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.372 C1 C3 H11 116.372
C2 C1 H8 113.143 C2 C1 H9 113.143
C2 C4 H12 110.797 C2 C4 H18 111.812
C2 C5 H15 110.797 C2 C5 H17 111.812
C3 C1 H8 113.143 C3 C1 H9 113.143
C3 C6 H13 110.797 C3 C6 H19 111.812
C3 C7 H14 110.797 C3 C7 H16 111.812
C4 C2 H10 113.906 C4 C7 H14 110.943
C4 C7 H16 112.666 C5 C2 H10 113.906
C5 C6 H13 110.943 C5 C6 H19 112.666
C6 C3 H11 113.906 C6 C5 H15 110.943
C6 C5 H17 112.666 C7 C3 H11 113.906
C7 C4 H12 110.943 C7 C4 H18 112.666
H8 C1 H9 109.149 H12 C4 H18 107.522
H13 C6 H19 107.522 H14 C7 H16 107.522
H15 C5 H17 107.522

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