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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=FULL/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 1.4077   0.0000 0.0000 1.4077
C2 0.0000 1.1478 0.3500   0.0000 1.1478 0.3500
C3 0.0000 -1.1478 0.3500   0.0000 -1.1478 0.3500
C4 1.2586 0.7917 -0.5015   1.2586 0.7917 -0.5015
C5 -1.2586 0.7917 -0.5015   -1.2586 0.7917 -0.5015
C6 -1.2586 -0.7917 -0.5015   -1.2586 -0.7917 -0.5015
C7 1.2586 -0.7917 -0.5015   1.2586 -0.7917 -0.5015
H8 -0.8998 0.0000 2.0325   -0.8998 0.0000 2.0325
H9 0.8998 0.0000 2.0325   0.8998 0.0000 2.0325
H10 0.0000 2.1687 0.7397   0.0000 2.1687 0.7397
H11 0.0000 -2.1687 0.7397   0.0000 -2.1687 0.7397
H12 2.1675 1.1774 -0.0263   2.1675 1.1774 -0.0263
H13 -2.1675 -1.1774 -0.0263   -2.1675 -1.1774 -0.0263
H14 2.1675 -1.1774 -0.0263   2.1675 -1.1774 -0.0263
H15 -2.1675 1.1774 -0.0263   -2.1675 1.1774 -0.0263
H16 1.1884 -1.2074 -1.5121   1.1884 -1.2074 -1.5121
H17 -1.1884 1.2074 -1.5121   -1.1884 1.2074 -1.5121
H18 1.1884 1.2074 -1.5121   1.1884 1.2074 -1.5121
H19 -1.1884 -1.2074 -1.5121   -1.1884 -1.2074 -1.5121
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5608 1.5608 2.4199 2.4199 2.4199 2.4199 1.0955 1.0955 2.2692 2.2692 2.8532 2.8532 2.8532 2.8532 3.3757 3.3757 3.3757 3.3757
C2 1.5608 2.2956 1.5608 1.5608 2.4639 2.4639 2.2266 2.2266 1.0927 3.3393 2.2002 3.2010 3.2010 2.2002 3.2290 2.2098 2.2098 3.2290
C3 1.5608 2.2956 2.4639 2.4639 1.5608 1.5608 2.2266 2.2266 3.3393 1.0927 3.2010 2.2002 2.2002 3.2010 2.2098 3.2290 3.2290 2.2098
C4 2.4199 1.5608 2.4639 2.5171 2.9737 1.5834 3.4215 2.6790 2.2407 3.4479 1.0959 3.9801 2.2202 3.4804 2.2411 2.6798 1.0950 3.3174
C5 2.4199 1.5608 2.4639 2.5171 1.5834 2.9737 2.6790 3.4215 2.2407 3.4479 3.4804 2.2202 3.9801 1.0959 3.3174 1.0950 2.6798 2.2411
C6 2.4199 2.4639 1.5608 2.9737 1.5834 2.5171 2.6790 3.4215 3.4479 2.2407 3.9801 1.0959 3.4804 2.2202 2.6798 2.2411 3.3174 1.0950
C7 2.4199 2.4639 1.5608 1.5834 2.9737 2.5171 3.4215 2.6790 3.4479 2.2407 2.2202 3.4804 1.0959 3.9801 1.0950 3.3174 2.2411 2.6798
H8 1.0955 2.2266 2.2266 3.4215 2.6790 2.6790 3.4215 1.7995 2.6803 2.6803 3.8773 2.6893 3.8773 2.6893 4.2875 3.7557 4.2875 3.7557
H9 1.0955 2.2266 2.2266 2.6790 3.4215 3.4215 2.6790 1.7995 2.6803 2.6803 2.6893 3.8773 2.6893 3.8773 3.7557 4.2875 3.7557 4.2875
H10 2.2692 1.0927 3.3393 2.2407 2.2407 3.4479 3.4479 2.6803 2.6803 4.3373 2.5035 4.0597 4.0597 2.5035 4.2286 2.7216 2.7216 4.2286
H11 2.2692 3.3393 1.0927 3.4479 3.4479 2.2407 2.2407 2.6803 2.6803 4.3373 4.0597 2.5035 2.5035 4.0597 2.7216 4.2286 4.2286 2.7216
H12 2.8532 2.2002 3.2010 1.0959 3.4804 3.9801 2.2202 3.8773 2.6893 2.5035 4.0597 4.9334 2.3549 4.3351 2.9756 3.6702 1.7797 4.3769
H13 2.8532 3.2010 2.2002 3.9801 2.2202 1.0959 3.4804 2.6893 3.8773 4.0597 2.5035 4.9334 4.3351 2.3549 3.6702 2.9756 4.3769 1.7797
H14 2.8532 3.2010 2.2002 2.2202 3.9801 3.4804 1.0959 3.8773 2.6893 4.0597 2.5035 2.3549 4.3351 4.9334 1.7797 4.3769 2.9756 3.6702
H15 2.8532 2.2002 3.2010 3.4804 1.0959 2.2202 3.9801 2.6893 3.8773 2.5035 4.0597 4.3351 2.3549 4.9334 4.3769 1.7797 3.6702 2.9756
H16 3.3757 3.2290 2.2098 2.2411 3.3174 2.6798 1.0950 4.2875 3.7557 4.2286 2.7216 2.9756 3.6702 1.7797 4.3769 3.3882 2.4148 2.3767
H17 3.3757 2.2098 3.2290 2.6798 1.0950 2.2411 3.3174 3.7557 4.2875 2.7216 4.2286 3.6702 2.9756 4.3769 1.7797 3.3882 2.3767 2.4148
H18 3.3757 2.2098 3.2290 1.0950 2.6798 3.3174 2.2411 4.2875 3.7557 2.7216 4.2286 1.7797 4.3769 2.9756 3.6702 2.4148 2.3767 3.3882
H19 3.3757 3.2290 2.2098 3.3174 2.2411 1.0950 2.6798 3.7557 4.2875 4.2286 2.7216 4.3769 1.7797 3.6702 2.9756 2.3767 2.4148 3.3882
Maximum atom distance is 4.9334Å 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 101.650 C1 C2 C5 101.650
C1 C3 C6 101.650 C1 C3 C7 101.650
C2 C1 C3 94.681 C2 C4 C7 103.189
C2 C5 C6 103.189 C3 C6 C5 103.189
C3 C7 C4 103.189 C4 C2 C5 107.488
C6 C3 C7 107.488
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.448 C1 C3 H11 116.448
C2 C1 H8 112.739 C2 C1 H9 112.739
C2 C4 H12 110.605 C2 C4 H18 111.421
C2 C5 H15 110.605 C2 C5 H17 111.421
C3 C1 H8 112.739 C3 C1 H9 112.739
C3 C6 H13 110.605 C3 C6 H19 111.421
C3 C7 H14 110.605 C3 C7 H16 111.421
C4 C2 H10 114.063 C4 C7 H14 110.610
C4 C7 H16 112.313 C5 C2 H10 114.063
C5 C6 H13 110.610 C5 C6 H19 112.313
C6 C3 H11 114.063 C6 C5 H15 110.610
C6 C5 H17 112.313 C7 C3 H11 114.063
C7 C4 H12 110.610 C7 C4 H18 112.313
H8 C1 H9 110.442 H12 C4 H18 108.650
H13 C6 H19 108.650 H14 C7 H16 108.650
H15 C5 H17 108.650

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