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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

BLYP/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.1988 -0.6031 -0.1109   2.1975 -0.6095 -0.1028
C2 1.4757 0.5168 0.1049   1.4769 0.5132 0.1070
C3 0.0135 0.6576 -0.0892   0.0155 0.6573 -0.0915
C4 -0.9094 -0.2957 0.1721   -0.9107 -0.2926 0.1707
C5 -2.3992 -0.1540 -0.0501   -2.3994 -0.1477 -0.0560
H6 1.7414 -1.5221 -0.4909   1.7386 -1.5286 -0.4807
H7 3.2755 -0.6366 0.0796   3.2736 -0.6451 0.0907
H8 1.9953 1.4252 0.4394   1.9980 1.4214 0.4397
H9 -0.3250 1.6366 -0.4570   -0.3193 1.6358 -0.4637
H10 -0.5750 -1.2548 0.5887   -0.5800 -1.2511 0.5917
H11 -2.6572 0.8376 -0.4556   -2.6537 0.8432 -0.4657
H12 -2.7717 -0.9185 -0.7563   -2.7722 -0.9137 -0.7605
H13 -2.9606 -0.2973 0.8911   -2.9638 -0.2860 0.8842
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3504 2.5230 3.1362 4.6203 1.0946 1.0939 2.1115 3.3920 2.9340 5.0770 5.0222 5.2648
C2 1.3504 1.4818 2.5206 3.9356 2.1407 2.1378 1.0987 2.1937 2.7529 4.1831 4.5654 4.5785
C3 2.5230 1.4818 1.3524 2.5458 2.8104 3.5134 2.1900 1.0991 2.1127 2.7017 3.2691 3.2739
C4 3.1362 2.5206 1.3524 1.5129 2.9951 4.1998 3.3868 2.1144 1.0979 2.1756 2.1722 2.1736
C5 4.6203 3.9356 2.5458 1.5129 4.3830 5.6966 4.6952 2.7702 2.2243 1.1019 1.1055 1.1053
H6 1.0946 2.1407 2.8104 2.9951 4.3830 1.8609 3.1010 3.7747 2.5696 4.9917 4.5611 5.0517
H7 1.0939 2.1378 3.5134 4.1998 5.6966 1.8609 2.4534 4.2917 3.9329 6.1365 6.1113 6.2979
H8 2.1115 1.0987 2.1900 3.3868 4.6952 3.1010 2.4534 2.4964 3.7163 4.7741 5.4450 5.2662
H9 3.3920 2.1937 1.0991 2.1144 2.7702 3.7747 4.2917 2.4964 3.0848 2.4653 3.5503 3.5361
H10 2.9340 2.7529 2.1127 1.0979 2.2243 2.5696 3.9329 3.7163 3.0848 3.1312 2.5977 2.5884
H11 5.0770 4.1831 2.7017 2.1756 1.1019 4.9917 6.1365 4.7741 2.4653 3.1312 1.7854 1.7871
H12 5.0222 4.5654 3.2691 2.1722 1.1055 4.5611 6.1113 5.4450 3.5503 2.5977 1.7854 1.7708
H13 5.2648 4.5785 3.2739 2.1736 1.1053 5.0517 6.2979 5.2662 3.5361 2.5884 1.7871 1.7708
Maximum atom distance is 6.2979Å between atoms H7 and H13.
picture of 1,3-Pentadiene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 125.895 C2 C3 C4 125.530
C3 C4 C5 125.282
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 118.759 C2 C1 H6 121.869
C2 C1 H7 121.637 C2 C3 H9 115.618
C3 C2 H8 115.338 C3 C4 H10 118.771
C4 C3 H9 118.838 C4 C5 H11 111.650
C4 C5 H12 111.157 C4 C5 H13 111.287
C5 C4 H10 115.944 H6 C1 H7 116.493
H11 C5 H12 107.959 H11 C5 H13 108.122
H12 C5 H13 106.445

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