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Geometry for C5H8 (1,3-Pentadiene, (Z)-) 1A' CS

1910171554
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4- INChIKey=PMJHHCWVYXUKFD-PLNGDYQASA-N

MP2=FULL/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4069 0.1417 0.0000   2.4049 -0.1727 0.0000
C2 1.1078 -0.2221 0.0000   1.0695 -0.3644 0.0000
C3 0.0000 0.7502 0.0000   0.0976 0.7438 0.0000
C4 -1.3219 0.4675 0.0000   -1.2498 0.6355 0.0000
C5 -1.9647 -0.9102 0.0000   -2.0665 -0.6468 0.0000
H6 2.7054 1.1877 0.0000   2.8369 0.8256 0.0000
H7 3.2084 -0.5902 0.0000   3.1044 -1.0027 0.0000
H8 0.8569 -1.2810 0.0000   0.6829 -1.3816 0.0000
H9 0.3017 1.7991 0.0000   0.5333 1.7446 0.0000
H10 -2.0237 1.3007 0.0000   -1.8373 1.5530 0.0000
H11 -1.2177 -1.7084 0.0000   -1.4297 -1.5354 0.0000
H12 -2.5999 -1.0352 0.8856   -2.7125 -0.6881 0.8856
H13 -2.5999 -1.0352 -0.8856   -2.7125 -0.6881 -0.8856
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3491 2.4827 3.7430 4.4965 1.0878 1.0854 2.1040 2.6794 4.5798 4.0695 5.2190 5.2190
C2 1.3491 1.4740 2.5256 3.1487 2.1307 2.1326 1.0882 2.1760 3.4822 2.7599 3.8977 3.8977
C3 2.4827 1.4740 1.3518 2.5724 2.7405 3.4772 2.2046 1.0914 2.0973 2.7436 3.2759 3.2759
C4 3.7430 2.5256 1.3518 1.5203 4.0911 4.6522 2.7936 2.0999 1.0894 2.1783 2.1623 2.1623
C5 4.4965 3.1487 2.5724 1.5203 5.1197 5.1831 2.8459 3.5323 2.2117 1.0932 1.0969 1.0969
H6 1.0878 2.1307 2.7405 4.0911 5.1197 1.8477 3.0841 2.4802 4.7304 4.8762 5.8199 5.8199
H7 1.0854 2.1326 3.4772 4.6522 5.1831 1.8477 2.4509 3.7627 5.5634 4.5652 5.8923 5.8923
H8 2.1040 1.0882 2.2046 2.7936 2.8459 3.0841 2.4509 3.1297 3.8682 2.1181 3.5768 3.5768
H9 2.6794 2.1760 1.0914 2.0999 3.5323 2.4802 3.7627 3.1297 2.3783 3.8224 4.1517 4.1517
H10 4.5798 3.4822 2.0973 1.0894 2.2117 4.7304 5.5634 3.8682 2.3783 3.1151 2.5637 2.5637
H11 4.0695 2.7599 2.7436 2.1783 1.0932 4.8762 4.5652 2.1181 3.8224 3.1151 1.7742 1.7742
H12 5.2190 3.8977 3.2759 2.1623 1.0969 5.8199 5.8923 3.5768 4.1517 2.5637 1.7742 1.7712
H13 5.2190 3.8977 3.2759 2.1623 1.0969 5.8199 5.8923 3.5768 4.1517 2.5637 1.7742 1.7712
Maximum atom distance is 5.8923Å between atoms H7 and H12.
picture of 1,3-Pentadiene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.085 C2 C3 C4 126.653
C3 C4 C5 127.090
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 118.975 C2 C1 H6 121.564
C2 C1 H7 121.958 C2 C3 H9 115.225
C3 C2 H8 117.941 C3 C4 H10 118.034
C4 C3 H9 118.123 C4 C5 H11 111.879
C4 C5 H12 110.370 C4 C5 H13 110.370
C5 C4 H10 114.876 H6 C1 H7 116.478
H11 C5 H12 108.209 H11 C5 H13 108.209
H12 C5 H13 107.671

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