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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/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 3.1416 -0.9410 0.0000   3.0910 -1.0958 0.0000
C2 2.2358 -0.3970 0.0000   2.2133 -0.5075 0.0000
C3 1.2151 0.2136 0.0000   1.2242 0.1530 0.0000
H4 0.1277 2.0535 0.0000   0.2295 2.0447 0.0000
C5 0.0000 0.9851 0.0000   0.0489 0.9839 0.0000
H6 -2.0470 1.1687 0.0000   -1.9864 1.2689 0.0000
C7 -1.2227 0.4739 0.0000   -1.1977 0.5340 0.0000
H8 -0.7079 -1.6129 0.0000   -0.7871 -1.5758 0.0000
H9 -2.1854 -1.2198 0.8741   -2.2433 -1.1098 0.8741
H10 -2.1854 -1.2198 -0.8741   -2.2433 -1.1098 -0.8741
C11 -1.5854 -0.9803 0.0000   -1.6322 -0.9004 0.0000
Atom - Atom Distances (Å)
  H1 C2 C3 H4 C5 H6 C7 H8 H9 H10 C11
H1 1.0566 2.2460 4.2487 3.6850 5.6011 4.5879 3.9077 5.4055 5.4055 4.7272
C2 1.0566 1.1894 3.2325 2.6285 4.5600 3.5664 3.1849 4.5813 4.5813 3.8655
C3 2.2460 1.1894 2.1372 1.4393 3.3990 2.4516 2.6522 3.7924 3.7924 3.0444
H4 4.2487 3.2325 2.1372 1.0760 2.3478 2.0781 3.7604 4.1023 4.1023 3.4841
C5 3.6850 2.6285 1.4393 1.0760 2.0552 1.3252 2.6927 3.2251 3.2251 2.5251
H6 5.6011 4.5600 3.3990 2.3478 2.0552 1.0781 3.0871 2.5471 2.5471 2.1980
C7 4.5879 3.5664 2.4516 2.0781 1.3252 1.0781 2.1493 2.1353 2.1353 1.4988
H8 3.9077 3.1849 2.6522 3.7604 2.6927 3.0871 2.1493 1.7611 1.7611 1.0817
H9 5.4055 4.5813 3.7924 4.1023 3.2251 2.5471 2.1353 1.7611 1.7482 1.0869
H10 5.4055 4.5813 3.7924 4.1023 3.2251 2.5471 2.1353 1.7611 1.7482 1.0869
C11 4.7272 3.8655 3.0444 3.4841 2.5251 2.1980 1.4988 1.0817 1.0869 1.0869
Maximum atom distance is 5.6011Å 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 178.475 C3 C5 C7 124.898
C5 C7 C11 126.695
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 179.900 C3 C5 H4 115.599
H4 C5 C7 119.503 C5 C7 H6 117.184
H6 C7 C11 116.121 C7 C11 H8 111.781
C7 C11 H9 110.325 C7 C11 H10 110.325
H8 C11 H9 108.600 H8 C11 H10 108.600
H9 C11 H10 107.068

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