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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4129 0.1370 0.0000   -2.4097 0.1859 0.0000
C2 1.1123 -0.2263 0.0000   -1.0722 0.3726 0.0000
C3 0.0000 0.7531 0.0000   -0.1004 -0.7464 0.0000
C4 -1.3228 0.4726 0.0000   1.2480 -0.6448 0.0000
C5 -1.9727 -0.9094 0.0000   2.0763 0.6382 0.0000
H6 2.7158 1.1858 0.0000   -2.8496 -0.8131 0.0000
H7 3.2178 -0.5970 0.0000   -3.1095 1.0208 0.0000
H8 0.8560 -1.2873 0.0000   -0.6767 1.3900 0.0000
H9 0.3076 1.8037 0.0000   -0.5454 -1.7465 0.0000
H10 -2.0275 1.3082 0.0000   1.8349 -1.5669 0.0000
H11 -1.2269 -1.7140 0.0000   1.4445 1.5351 0.0000
H12 -2.6107 -1.0311 0.8892   2.7249 0.6738 0.8892
H13 -2.6107 -1.0311 -0.8892   2.7249 0.6738 -0.8892
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3504 2.4904 3.7508 4.5087 1.0917 1.0893 2.1102 2.6851 4.5923 4.0835 5.2338 5.2338
C2 1.3504 1.4821 2.5334 3.1597 2.1366 2.1379 1.0916 2.1836 3.4947 2.7723 3.9114 3.9114
C3 2.4904 1.4821 1.3522 2.5798 2.7500 3.4896 2.2127 1.0946 2.1021 2.7554 3.2848 3.2848
C4 3.7508 2.5334 1.3522 1.5272 4.1011 4.6649 2.8008 2.1047 1.0931 2.1888 2.1704 2.1704
C5 4.5087 3.1597 2.5798 1.5272 5.1353 5.1999 2.8538 3.5440 2.2183 1.0971 1.1012 1.1012
H6 1.0917 2.1366 2.7500 4.1011 5.1353 1.8522 3.0944 2.4861 4.7448 4.8943 5.8375 5.8375
H7 1.0893 2.1379 3.4896 4.6649 5.1999 1.8522 2.4606 3.7726 5.5806 4.5829 5.9119 5.9119
H8 2.1102 1.0916 2.2127 2.8008 2.8538 3.0944 2.4606 3.1392 3.8796 2.1262 3.5881 3.5881
H9 2.6851 2.1836 1.0946 2.1047 3.5440 2.4861 3.7726 3.1392 2.3871 3.8378 4.1645 4.1645
H10 4.5923 3.4947 2.1021 1.0931 2.2183 4.7448 5.5806 3.8796 2.3871 3.1265 2.5697 2.5697
H11 4.0835 2.7723 2.7554 2.1888 1.0971 4.8943 4.5829 2.1262 3.8378 3.1265 1.7810 1.7810
H12 5.2338 3.9114 3.2848 2.1704 1.1012 5.8375 5.9119 3.5881 4.1645 2.5697 1.7810 1.7785
H13 5.2338 3.9114 3.2848 2.1704 1.1012 5.8375 5.9119 3.5881 4.1645 2.5697 1.7810 1.7785
Maximum atom distance is 5.9119Å 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 123.028 C2 C3 C4 126.662
C3 C4 C5 127.157
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.189 C2 C1 H6 121.712
C2 C1 H7 122.027 C2 C3 H9 115.043
C3 C2 H8 117.784 C3 C4 H10 118.169
C4 C3 H9 118.295 C4 C5 H11 111.991
C4 C5 H12 110.281 C4 C5 H13 110.281
C5 C4 H10 114.674 H6 C1 H7 116.262
H11 C5 H12 108.223 H11 C5 H13 108.223
H12 C5 H13 107.709

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