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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

mPW1PW91/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3813   0.0000 0.0000 1.3813
C2 0.0000 1.1278 0.3388   0.0000 1.1278 0.3388
C3 0.0000 -1.1278 0.3388   0.0000 -1.1278 0.3388
C4 1.2479 0.7780 -0.4912   1.2479 0.7780 -0.4912
C5 -1.2479 0.7780 -0.4912   -1.2479 0.7780 -0.4912
C6 -1.2479 -0.7780 -0.4912   -1.2479 -0.7780 -0.4912
C7 1.2479 -0.7780 -0.4912   1.2479 -0.7780 -0.4912
H8 -0.8909 0.0000 2.0188   -0.8909 0.0000 2.0188
H9 0.8909 0.0000 2.0188   0.8909 0.0000 2.0188
H10 0.0000 2.1486 0.7294   0.0000 2.1486 0.7294
H11 0.0000 -2.1486 0.7294   0.0000 -2.1486 0.7294
H12 2.1526 1.1717 -0.0165   2.1526 1.1717 -0.0165
H13 -2.1526 -1.1717 -0.0165   -2.1526 -1.1717 -0.0165
H14 2.1526 -1.1717 -0.0165   2.1526 -1.1717 -0.0165
H15 -2.1526 1.1717 -0.0165   -2.1526 1.1717 -0.0165
H16 1.2011 -1.2023 -1.4990   1.2011 -1.2023 -1.4990
H17 -1.2011 1.2023 -1.4990   -1.2011 1.2023 -1.4990
H18 1.2011 1.2023 -1.4990   1.2011 1.2023 -1.4990
H19 -1.2011 -1.2023 -1.4990   -1.2011 -1.2023 -1.4990
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5358 1.5358 2.3809 2.3809 2.3809 2.3809 1.0955 1.0955 2.2453 2.2453 2.8215 2.8215 2.8215 2.8215 3.3443 3.3443 3.3443 3.3443
C2 1.5358 2.2555 1.5390 1.5390 2.4245 2.4245 2.2109 2.2109 1.0930 3.2995 2.1822 3.1698 3.1698 2.1822 3.2015 2.1968 2.1968 3.2015
C3 1.5358 2.2555 2.4245 2.4245 1.5390 1.5390 2.2109 2.2109 3.2995 1.0930 3.1698 2.1822 2.1822 3.1698 2.1968 3.2015 3.2015 2.1968
C4 2.3809 1.5390 2.4245 2.4958 2.9412 1.5561 3.3882 2.6520 2.2194 3.4077 1.0949 3.9485 2.2012 3.4560 2.2226 2.6820 1.0945 3.3068
C5 2.3809 1.5390 2.4245 2.4958 1.5561 2.9412 2.6520 3.3882 2.2194 3.4077 3.4560 2.2012 3.9485 1.0949 3.3068 1.0945 2.6820 2.2226
C6 2.3809 2.4245 1.5390 2.9412 1.5561 2.4958 2.6520 3.3882 3.4077 2.2194 3.9485 1.0949 3.4560 2.2012 2.6820 2.2226 3.3068 1.0945
C7 2.3809 2.4245 1.5390 1.5561 2.9412 2.4958 3.3882 2.6520 3.4077 2.2194 2.2012 3.4560 1.0949 3.9485 1.0945 3.3068 2.2226 2.6820
H8 1.0955 2.2109 2.2109 3.3882 2.6520 2.6520 3.3882 1.7818 2.6594 2.6594 3.8443 2.6660 3.8443 2.6660 4.2658 3.7306 4.2658 3.7306
H9 1.0955 2.2109 2.2109 2.6520 3.3882 3.3882 2.6520 1.7818 2.6594 2.6594 2.6660 3.8443 2.6660 3.8443 3.7306 4.2658 3.7306 4.2658
H10 2.2453 1.0930 3.2995 2.2194 2.2194 3.4077 3.4077 2.6594 2.6594 4.2972 2.4788 4.0267 4.0267 2.4788 4.1997 2.7026 2.7026 4.1997
H11 2.2453 3.2995 1.0930 3.4077 3.4077 2.2194 2.2194 2.6594 2.6594 4.2972 4.0267 2.4788 2.4788 4.0267 2.7026 4.1997 4.1997 2.7026
H12 2.8215 2.1822 3.1698 1.0949 3.4560 3.9485 2.2012 3.8443 2.6660 2.4788 4.0267 4.9017 2.3433 4.3053 2.9562 3.6669 1.7619 4.3682
H13 2.8215 3.1698 2.1822 3.9485 2.2012 1.0949 3.4560 2.6660 3.8443 4.0267 2.4788 4.9017 4.3053 2.3433 3.6669 2.9562 4.3682 1.7619
H14 2.8215 3.1698 2.1822 2.2012 3.9485 3.4560 1.0949 3.8443 2.6660 4.0267 2.4788 2.3433 4.3053 4.9017 1.7619 4.3682 2.9562 3.6669
H15 2.8215 2.1822 3.1698 3.4560 1.0949 2.2012 3.9485 2.6660 3.8443 2.4788 4.0267 4.3053 2.3433 4.9017 4.3682 1.7619 3.6669 2.9562
H16 3.3443 3.2015 2.1968 2.2226 3.3068 2.6820 1.0945 4.2658 3.7306 4.1997 2.7026 2.9562 3.6669 1.7619 4.3682 3.3989 2.4047 2.4021
H17 3.3443 2.1968 3.2015 2.6820 1.0945 2.2226 3.3068 3.7306 4.2658 2.7026 4.1997 3.6669 2.9562 4.3682 1.7619 3.3989 2.4021 2.4047
H18 3.3443 2.1968 3.2015 1.0945 2.6820 3.3068 2.2226 4.2658 3.7306 2.7026 4.1997 1.7619 4.3682 2.9562 3.6669 2.4047 2.4021 3.3989
H19 3.3443 3.2015 2.1968 3.3068 2.2226 1.0945 2.6820 3.7306 4.2658 4.1997 2.7026 4.3682 1.7619 3.6669 2.9562 2.4021 2.4047 3.3989
Maximum atom distance is 4.9017Å 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 101.492 C1 C2 C5 101.492
C1 C3 C6 101.492 C1 C3 C7 101.492
C2 C1 C3 94.501 C2 C4 C7 103.135
C2 C5 C6 103.135 C3 C6 C5 103.135
C3 C7 C4 103.135 C4 C2 C5 108.359
C6 C3 C7 108.359
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.312 C1 C3 H11 116.312
C2 C1 H8 113.267 C2 C1 H9 113.267
C2 C4 H12 110.764 C2 C4 H18 111.952
C2 C5 H15 110.764 C2 C5 H17 111.952
C3 C1 H8 113.267 C3 C1 H9 113.267
C3 C6 H13 110.764 C3 C6 H19 111.952
C3 C7 H14 110.764 C3 C7 H16 111.952
C4 C2 H10 113.889 C4 C7 H14 111.071
C4 C7 H16 112.809 C5 C2 H10 113.889
C5 C6 H13 111.071 C5 C6 H19 112.809
C6 C3 H11 113.889 C6 C5 H15 111.071
C6 C5 H17 112.809 C7 C3 H11 113.889
C7 C4 H12 111.071 C7 C4 H18 112.809
H8 C1 H9 108.826 H12 C4 H18 107.168
H13 C6 H19 107.168 H14 C7 H16 107.168
H15 C5 H17 107.168

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