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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

CCD/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4104 0.1354 0.0000   2.4080 -0.1725 0.0000
C2 1.1120 -0.2271 0.0000   1.0740 -0.3668 0.0000
C3 0.0000 0.7520 0.0000   0.0957 0.7459 0.0000
C4 -1.3208 0.4731 0.0000   -1.2498 0.6374 0.0000
C5 -1.9718 -0.9068 0.0000   -2.0712 -0.6484 0.0000
H6 2.7138 1.1835 0.0000   2.8424 0.8284 0.0000
H7 3.2149 -0.5982 0.0000   3.1126 -1.0026 0.0000
H8 0.8556 -1.2876 0.0000   0.6847 -1.3861 0.0000
H9 0.3080 1.8020 0.0000   0.5349 1.7481 0.0000
H10 -2.0245 1.3088 0.0000   -1.8414 1.5559 0.0000
H11 -1.2275 -1.7120 0.0000   -1.4354 -1.5418 0.0000
H12 -2.6095 -1.0281 0.8888   -2.7192 -0.6875 0.8888
H13 -2.6095 -1.0281 -0.8888   -2.7192 -0.6875 -0.8888
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3480 2.4880 3.7464 4.5044 1.0911 1.0888 2.1077 2.6828 4.5875 4.0801 5.2291 5.2291
C2 1.3480 1.4816 2.5315 3.1578 2.1344 2.1354 1.0911 2.1826 3.4924 2.7709 3.9091 3.9091
C3 2.4880 1.4816 1.3499 2.5768 2.7479 3.4869 2.2118 1.0942 2.0997 2.7529 3.2815 3.2815
C4 3.7464 2.5315 1.3499 1.5258 4.0966 4.6605 2.7994 2.1021 1.0926 2.1871 2.1690 2.1690
C5 4.5044 3.1578 2.5768 1.5258 5.1307 5.1959 2.8529 3.5405 2.2163 1.0965 1.1006 1.1006
H6 1.0911 2.1344 2.7479 4.0966 5.1307 1.8508 3.0918 2.4840 4.7399 4.8906 5.8326 5.8326
H7 1.0888 2.1354 3.4869 4.6605 5.1959 1.8508 2.4580 3.7697 5.5757 4.5799 5.9075 5.9075
H8 2.1077 1.0911 2.2118 2.7994 2.8529 3.0918 2.4580 3.1378 3.8777 2.1259 3.5867 3.5867
H9 2.6828 2.1826 1.0942 2.1021 3.5405 2.4840 3.7697 3.1378 2.3841 3.8348 4.1607 4.1607
H10 4.5875 3.4924 2.0997 1.0926 2.2163 4.7399 5.5757 3.8777 2.3841 3.1242 2.5677 2.5677
H11 4.0801 2.7709 2.7529 2.1871 1.0965 4.8906 4.5799 2.1259 3.8348 3.1242 1.7799 1.7799
H12 5.2291 3.9091 3.2815 2.1690 1.1006 5.8326 5.9075 3.5867 4.1607 2.5677 1.7799 1.7776
H13 5.2291 3.9091 3.2815 2.1690 1.1006 5.8326 5.9075 3.5867 4.1607 2.5677 1.7799 1.7776
Maximum atom distance is 5.9075Å 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 123.035 C2 C3 C4 126.711
C3 C4 C5 127.182
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.191 C2 C1 H6 121.747
C2 C1 H7 122.040 C2 C3 H9 115.015
C3 C2 H8 117.775 C3 C4 H10 118.176
C4 C3 H9 118.273 C4 C5 H11 111.992
C4 C5 H12 110.296 C4 C5 H13 110.296
C5 C4 H10 114.642 H6 C1 H7 116.213
H11 C5 H12 108.206 H11 C5 H13 108.206
H12 C5 H13 107.713

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