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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

QCISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4275 0.1512 0.0000   -2.4268 0.1613 0.0000
C2 1.1197 -0.2204 0.0000   -1.0822 0.3621 0.0000
C3 0.0000 0.7494 0.0000   -0.0961 -0.7432 0.0000
C4 -1.3316 0.4618 0.0000   1.2614 -0.6287 0.0000
C5 -1.9835 -0.9141 0.0000   2.0843 0.6522 0.0000
H6 2.7281 1.2042 0.0000   -2.8600 -0.8445 0.0000
H7 3.2382 -0.5811 0.0000   -3.1370 0.9915 0.0000
H8 0.8744 -1.2883 0.0000   -0.7020 1.3898 0.0000
H9 0.2985 1.8063 0.0000   -0.5276 -1.7531 0.0000
H10 -2.0364 1.3024 0.0000   1.8527 -1.5527 0.0000
H11 -1.2433 -1.7291 0.0000   1.4547 1.5554 0.0000
H12 -2.6260 -1.0410 0.8896   2.7378 0.6957 0.8896
H13 -2.6260 -1.0410 -0.8896   2.7378 0.6957 -0.8896
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3596 2.5001 3.7719 4.5377 1.0951 1.0925 2.1176 2.6967 4.6100 4.1243 5.2679 5.2679
C2 1.3596 1.4812 2.5444 3.1797 2.1486 2.1490 1.0957 2.1867 3.5043 2.8035 3.9363 3.9363
C3 2.5001 1.4812 1.3623 2.5886 2.7658 3.5009 2.2173 1.0983 2.1102 2.7728 3.3004 3.3004
C4 3.7719 2.5444 1.3623 1.5225 4.1270 4.6873 2.8159 2.1130 1.0970 2.1927 2.1738 2.1738
C5 4.5377 3.1797 2.5886 1.5225 5.1659 5.2323 2.8822 3.5507 2.2171 1.1009 1.1047 1.1047
H6 1.0951 2.1486 2.7658 4.1270 5.1659 1.8568 3.1063 2.5031 4.7656 4.9373 5.8736 5.8736
H7 1.0925 2.1490 3.5009 4.6873 5.2323 1.8568 2.4673 3.7871 5.6009 4.6262 5.9491 5.9491
H8 2.1176 1.0957 2.2173 2.8159 2.8822 3.1063 2.4673 3.1477 3.8967 2.1631 3.6201 3.6201
H9 2.6967 2.1867 1.0983 2.1130 3.5507 2.5031 3.7871 3.1477 2.3887 3.8570 4.1774 4.1774
H10 4.6100 3.5043 2.1102 1.0970 2.2171 4.7656 5.6009 3.8967 2.3887 3.1335 2.5749 2.5749
H11 4.1243 2.8035 2.7728 2.1927 1.1009 4.9373 4.6262 2.1631 3.8570 3.1335 1.7824 1.7824
H12 5.2679 3.9363 3.3004 2.1738 1.1047 5.8736 5.9491 3.6201 4.1774 2.5749 1.7824 1.7792
H13 5.2679 3.9363 3.3004 2.1738 1.1047 5.8736 5.9491 3.6201 4.1774 2.5749 1.7824 1.7792
Maximum atom distance is 5.9491Å 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 123.244 C2 C3 C4 126.919
C3 C4 C5 127.534
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 118.795 C2 C1 H6 121.794
C2 C1 H7 122.050 C2 C3 H9 115.126
C3 C2 H8 117.961 C3 C4 H10 117.797
C4 C3 H9 117.954 C4 C5 H11 112.407
C4 C5 H12 110.661 C4 C5 H13 110.661
C5 C4 H10 114.668 H6 C1 H7 116.157
H11 C5 H12 107.818 H11 C5 H13 107.818
H12 C5 H13 107.276

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