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Geometry for C14H10 (Anthracene)

1910171554

MP2/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0050 1.4084 2.4754   2.4762 1.4070 0.0050
C2 -0.0050 0.7117 3.6633   3.6637 0.7096 -0.0050
C3 0.0050 -0.7117 3.6633   3.6628 -0.7138 0.0050
C4 -0.0050 -1.4084 2.4754   2.4746 -1.4098 -0.0050
C5 -0.0050 -1.4084 -2.4754   -2.4762 -1.4070 -0.0050
C6 0.0050 -0.7117 -3.6633   -3.6637 -0.7096 0.0050
C7 -0.0050 0.7117 -3.6633   -3.6628 0.7138 -0.0050
C8 0.0050 1.4084 -2.4754   -2.4746 1.4098 0.0050
C9 0.0027 1.4056 0.0000   0.0008 1.4056 0.0027
C10 -0.0027 -1.4056 0.0000   -0.0008 -1.4056 -0.0027
C11 -0.0307 0.7212 1.2249   1.2253 0.7205 -0.0307
C12 0.0307 -0.7212 1.2249   1.2245 -0.7219 0.0307
C13 0.0307 -0.7212 -1.2249   -1.2253 -0.7205 0.0307
C14 -0.0307 0.7212 -1.2249   -1.2245 0.7219 -0.0307
H15 -0.0052 2.4936 2.4755   2.4769 2.4922 -0.0052
H16 0.0108 1.2474 4.6050   4.6057 1.2448 0.0108
H17 -0.0108 -1.2474 4.6050   4.6043 -1.2500 -0.0108
H18 0.0052 -2.4936 2.4755   2.4740 -2.4950 0.0052
H19 0.0052 -2.4936 -2.4755   -2.4769 -2.4922 0.0052
H20 -0.0108 -1.2474 -4.6050   -4.6057 -1.2448 -0.0108
H21 0.0108 1.2474 -4.6050   -4.6043 1.2500 0.0108
H22 -0.0052 2.4936 -2.4755   -2.4740 2.4950 -0.0052
H23 -0.0164 2.4921 0.0000   0.0014 2.4921 -0.0164
H24 0.0164 -2.4921 0.0000   -0.0014 -2.4921 0.0164
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 H15 H16 H17 H18 H19 H20 H21 H22 H23 H24
C1 1.3771 2.4302 2.8169 5.6961 6.4945 6.1781 4.9509 2.4754 3.7479 1.4274 2.4698 4.2695 3.7638 1.0852 2.1357 3.4042 3.9020 6.3037 7.5622 7.0823 5.0684 2.7023 4.6197
C2 1.3771 1.4234 2.4302 6.4945 7.4635 7.3265 6.1781 3.7284 4.2311 2.4385 2.8284 5.0940 4.8882 2.1415 1.0836 2.1737 3.4183 6.9251 8.4972 8.2856 6.3921 4.0730 4.8666
C3 2.4302 1.4234 1.3771 6.1781 7.3265 7.4635 6.4945 4.2311 3.7284 2.8284 2.4385 4.8882 5.0940 3.4183 2.1737 1.0836 2.1415 6.3921 8.2856 8.4972 6.9251 4.8666 4.0730
C4 2.8169 2.4302 1.3771 4.9509 6.1781 6.4945 5.6961 3.7479 2.4754 2.4698 1.4274 3.7638 4.2695 3.9020 3.4042 2.1357 1.0852 5.0684 7.0823 7.5622 6.3037 4.6197 2.7023
C5 5.6961 6.4945 6.1781 4.9509 1.3771 2.4302 2.8169 3.7479 2.4754 4.2695 3.7638 1.4274 2.4698 6.3037 7.5622 7.0823 5.0684 1.0852 2.1357 3.4042 3.9020 4.6197 2.7023
C6 6.4945 7.4635 7.3265 6.1781 1.3771 1.4234 2.4302 4.2311 3.7284 5.0940 4.8882 2.4385 2.8284 6.9251 8.4972 8.2856 6.3921 2.1415 1.0836 2.1737 3.4183 4.8666 4.0730
C7 6.1781 7.3265 7.4635 6.4945 2.4302 1.4234 1.3771 3.7284 4.2311 4.8882 5.0940 2.8284 2.4385 6.3921 8.2856 8.4972 6.9251 3.4183 2.1737 1.0836 2.1415 4.0730 4.8666
C8 4.9509 6.1781 6.4945 5.6961 2.8169 2.4302 1.3771 2.4754 3.7479 3.7638 4.2695 2.4698 1.4274 5.0684 7.0823 7.5622 6.3037 3.9020 3.4042 2.1357 1.0852 2.7023 4.6197
C9 2.4754 3.7284 4.2311 3.7479 3.7479 4.2311 3.7284 2.4754 2.8113 1.4035 2.4545 2.4545 1.4035 2.7040 4.6077 5.3146 4.6186 4.6186 5.3146 4.6077 2.7040 1.0866 3.8977
C10 3.7479 4.2311 3.7284 2.4754 2.4754 3.7284 4.2311 3.7479 2.8113 2.4545 1.4035 1.4035 2.4545 4.6186 5.3146 4.6077 2.7040 2.7040 4.6077 5.3146 4.6186 3.8977 1.0866
C11 1.4274 2.4385 2.8284 2.4698 4.2695 5.0940 4.8882 3.7638 1.4035 2.4545 1.4437 2.8435 2.4498 2.1693 3.4211 3.9116 3.4497 4.9019 6.1533 5.8537 4.1030 2.1533 3.4392
C12 2.4698 2.8284 2.4385 1.4274 3.7638 4.8882 5.0940 4.2695 2.4545 1.4035 1.4437 2.4498 2.8435 3.4497 3.9116 3.4211 2.1693 4.1030 5.8537 6.1533 4.9019 3.4392 2.1533
C13 4.2695 5.0940 4.8882 3.7638 1.4274 2.4385 2.8284 2.4698 2.4545 1.4035 2.8435 2.4498 1.4437 4.9019 6.1533 5.8537 4.1030 2.1693 3.4211 3.9116 3.4497 3.4392 2.1533
C14 3.7638 4.8882 5.0940 4.2695 2.4698 2.8284 2.4385 1.4274 1.4035 2.4545 2.4498 2.8435 1.4437 4.1030 5.8537 6.1533 4.9019 3.4497 3.9116 3.4211 2.1693 2.1533 3.4392
H15 1.0852 2.1415 3.4183 3.9020 6.3037 6.9251 6.3921 5.0684 2.7040 4.6186 2.1693 3.4497 4.9019 4.1030 2.4674 4.3046 4.9872 7.0273 8.0080 7.1893 4.9509 2.4755 5.5664
H16 2.1357 1.0836 2.1737 3.4042 7.5622 8.4972 8.2856 7.0823 4.6077 5.3146 3.4211 3.9116 6.1533 5.8537 2.4674 2.4948 4.3046 8.0080 9.5419 9.2100 7.1893 4.7703 5.9321
H17 3.4042 2.1737 1.0836 2.1357 7.0823 8.2856 8.4972 7.5622 5.3146 4.6077 3.9116 3.4211 5.8537 6.1533 4.3046 2.4948 2.4674 7.1893 9.2100 9.5419 8.0080 5.9321 4.7703
H18 3.9020 3.4183 2.1415 1.0852 5.0684 6.3921 6.9251 6.3037 4.6186 2.7040 3.4497 2.1693 4.1030 4.9019 4.9872 4.3046 2.4674 4.9509 7.1893 8.0080 7.0273 5.5664 2.4755
H19 6.3037 6.9251 6.3921 5.0684 1.0852 2.1415 3.4183 3.9020 4.6186 2.7040 4.9019 4.1030 2.1693 3.4497 7.0273 8.0080 7.1893 4.9509 2.4674 4.3046 4.9872 5.5664 2.4755
H20 7.5622 8.4972 8.2856 7.0823 2.1357 1.0836 2.1737 3.4042 5.3146 4.6077 6.1533 5.8537 3.4211 3.9116 8.0080 9.5419 9.2100 7.1893 2.4674 2.4948 4.3046 5.9321 4.7703
H21 7.0823 8.2856 8.4972 7.5622 3.4042 2.1737 1.0836 2.1357 4.6077 5.3146 5.8537 6.1533 3.9116 3.4211 7.1893 9.2100 9.5419 8.0080 4.3046 2.4948 2.4674 4.7703 5.9321
H22 5.0684 6.3921 6.9251 6.3037 3.9020 3.4183 2.1415 1.0852 2.7040 4.6186 4.1030 4.9019 3.4497 2.1693 4.9509 7.1893 8.0080 7.0273 4.9872 4.3046 2.4674 2.4755 5.5664
H23 2.7023 4.0730 4.8666 4.6197 4.6197 4.8666 4.0730 2.7023 1.0866 3.8977 2.1533 3.4392 3.4392 2.1533 2.4755 4.7703 5.9321 5.5664 5.5664 5.9321 4.7703 2.4755 4.9843
H24 4.6197 4.8666 4.0730 2.7023 2.7023 4.0730 4.8666 4.6197 3.8977 1.0866 3.4392 2.1533 2.1533 3.4392 5.5664 5.9321 4.7703 2.4755 2.4755 4.7703 5.9321 5.5664 4.9843
Maximum atom distance is 9.5419Å between atoms H16 and H20.
picture of Anthracene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 120.390 C1 C11 C9 121.954
C1 C11 C12 118.682 C2 C1 C11 120.792
C2 C3 C4 120.390 C3 C4 C12 120.792
C4 C12 C10 121.954 C4 C12 C11 118.682
C5 C6 C7 120.390 C5 C13 C10 121.954
C5 C13 C14 118.682 C6 C5 C13 120.792
C6 C7 C8 120.390 C7 C8 C14 120.792
C8 C14 C9 121.954 C8 C14 C13 118.682
C9 C11 C12 119.090 C9 C14 C13 119.090
C10 C12 C11 119.090 C10 C13 C14 119.090
C11 C9 C14 121.553 C12 C10 C13 121.553
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H16 119.962 C2 C1 H15 120.387
C2 C3 H17 119.621 C3 C2 H16 119.621
C3 C4 H18 120.387 C4 C3 H17 119.962
C5 C6 H20 119.962 C6 C5 H19 120.387
C6 C7 H21 119.621 C7 C6 H20 119.621
C7 C8 H22 120.387 C8 C7 H21 119.962
C11 C1 H15 118.764 C11 C9 H23 119.153
C12 C4 H18 118.764 C12 C10 H24 119.153
C13 C5 H19 118.764 C13 C10 H24 119.153
C14 C8 H22 118.764 C14 C9 H23 119.153

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