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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 3.1476 -0.9291 0.0000   3.0932 -1.0969 0.0000
C2 2.2427 -0.3908 0.0000   2.2184 -0.5107 0.0000
C3 1.2146 0.2227 0.0000   1.2248 0.1572 0.0000
H4 0.1224 2.0502 0.0000   0.2324 2.0407 0.0000
C5 0.0000 0.9830 0.0000   0.0528 0.9816 0.0000
H6 -2.0535 1.1588 0.0000   -1.9882 1.2675 0.0000
C7 -1.2275 0.4695 0.0000   -1.2005 0.5348 0.0000
H8 -0.7089 -1.6157 0.0000   -0.7947 -1.5752 0.0000
H9 -2.1834 -1.2312 0.8731   -2.2464 -1.1121 0.8731
H10 -2.1834 -1.2312 -0.8731   -2.2464 -1.1121 -0.8731
C11 -1.5865 -0.9849 0.0000   -1.6372 -0.8982 0.0000
Atom - Atom Distances (Å)
  H1 C2 C3 H4 C5 H6 C7 H8 H9 H10 C11
H1 1.0530 2.2502 4.2460 3.6829 5.6046 4.5933 3.9172 5.4105 5.4105 4.7345
C2 1.0530 1.1972 3.2333 2.6300 4.5671 3.5752 3.1957 4.5890 4.5890 3.8750
C3 2.2502 1.1972 2.1290 1.4329 3.3995 2.4545 2.6608 3.7977 3.7977 3.0503
H4 4.2460 3.2333 2.1290 1.0742 2.3514 2.0787 3.7590 4.1044 4.1044 3.4831
C5 3.6829 2.6300 1.4329 1.0742 2.0610 1.3306 2.6937 3.2299 3.2299 2.5278
H6 5.6046 4.5671 3.3995 2.3514 2.0610 1.0758 3.0831 2.5478 2.5478 2.1939
C7 4.5933 3.5752 2.4545 2.0787 1.3306 1.0758 2.1487 2.1374 2.1374 1.4980
H8 3.9172 3.1957 2.6608 3.7590 2.6937 3.0831 2.1487 1.7562 1.7562 1.0808
H9 5.4105 4.5890 3.7977 4.1044 3.2299 2.5478 2.1374 1.7562 1.7461 1.0859
H10 5.4105 4.5890 3.7977 4.1044 3.2299 2.5478 2.1374 1.7562 1.7461 1.0859
C11 4.7345 3.8750 3.0503 3.4831 2.5278 2.1939 1.4980 1.0808 1.0859 1.0859
Maximum atom distance is 5.6046Å 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 178.781 C3 C5 C7 125.254
C5 C7 C11 126.568
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 179.920 C3 C5 H4 115.503
H4 C5 C7 119.243 C5 C7 H6 117.453
H6 C7 C11 115.978 C7 C11 H8 111.841
C7 C11 H9 110.607 C7 C11 H10 110.607
H8 C11 H9 108.296 H8 C11 H10 108.296
H9 C11 H10 107.029

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