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Geometry for C5H6 (3-Penten-1-yne, (Z)-) 1A' CS

1910171554
InChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3/b5-4- INChIKey=XAJOPMVSQIBJCW-PLNGDYQASA-N

HF/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 3.2837 -0.7712 0.0000   3.1990 -1.0695 0.0000
C2 2.3521 -0.2736 0.0000   2.3170 -0.4884 0.0000
C3 1.2584 0.2916 0.0000   1.2798 0.1748 0.0000
H4 0.0850 2.1040 0.0000   0.2778 2.0873 0.0000
C5 0.0000 1.0298 0.0000   0.0946 1.0254 0.0000
H6 -2.0835 1.1050 0.0000   -1.9732 1.2917 0.0000
C7 -1.2242 0.4486 0.0000   -1.1779 0.5591 0.0000
H8 -0.5948 -1.6263 0.0000   -0.7416 -1.5648 0.0000
H9 -2.0972 -1.3148 0.8789   -2.2091 -1.1167 0.8789
H10 -2.0972 -1.3148 -0.8789   -2.2091 -1.1167 -0.8789
C11 -1.5102 -1.0419 0.0000   -1.5995 -0.8988 0.0000
Atom - Atom Distances (Å)
  H1 C2 C3 H4 C5 H6 C7 H8 H9 H10 C11
H1 1.0562 2.2872 4.3010 3.7451 5.6857 4.6700 3.9716 5.4792 5.4792 4.8015
C2 1.0562 1.2311 3.2852 2.6891 4.6449 3.6485 3.2425 4.6533 4.6533 3.9379
C3 2.2872 1.2311 2.1591 1.4589 3.4394 2.4876 2.6669 3.8227 3.8227 3.0730
H4 4.3010 3.2852 2.1591 1.0776 2.3875 2.1105 3.7917 4.1500 4.1500 3.5272
C5 3.7451 2.6891 1.4589 1.0776 2.0849 1.3552 2.7218 3.2662 3.2662 2.5637
H6 5.6857 4.6449 3.4394 2.3875 2.0849 1.0813 3.1107 2.5746 2.5746 2.2222
C7 4.6700 3.6485 2.4876 2.1105 1.3552 1.0813 2.1682 2.1550 2.1550 1.5177
H8 3.9716 3.2425 2.6669 3.7917 2.7218 3.1107 2.1682 1.7683 1.7683 1.0860
H9 5.4792 4.6533 3.8227 4.1500 3.2662 2.5746 2.1550 1.7683 1.7579 1.0916
H10 5.4792 4.6533 3.8227 4.1500 3.2662 2.5746 2.1550 1.7683 1.7579 1.0916
C11 4.8015 3.9379 3.0730 3.5272 2.5637 2.2222 1.5177 1.0860 1.0916 1.0916
Maximum atom distance is 5.6857Å between atoms H1 and H6.
picture of 3-Penten-1-yne, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C3 C5 176.935 C3 C5 C7 124.209
C5 C7 C11 126.255
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 179.223 C3 C5 H4 115.873
H4 C5 C7 119.918 C5 C7 H6 117.226
H6 C7 C11 116.519 C7 C11 H8 111.692
C7 C11 H9 110.293 C7 C11 H10 110.293
H8 C11 H9 108.591 H8 C11 H10 108.591
H9 C11 H10 107.253

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