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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

MP2=FULL/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.3739 0.1490 0.0000   2.3725 -0.1707 0.0000
C2 1.0871 -0.2124 0.0000   1.0488 -0.3563 0.0000
C3 0.0000 0.7397 0.0000   0.0992 0.7330 0.0000
C4 -1.3082 0.4514 0.0000   -1.2358 0.6228 0.0000
C5 -1.9264 -0.9025 0.0000   -2.0300 -0.6360 0.0000
H6 2.6552 1.1899 0.0000   2.7908 0.8231 0.0000
H7 3.1632 -0.5820 0.0000   3.0566 -1.0010 0.0000
H8 0.8462 -1.2620 0.0000   0.6693 -1.3641 0.0000
H9 0.2882 1.7800 0.0000   0.5243 1.7253 0.0000
H10 -1.9975 1.2818 0.0000   -1.8075 1.5381 0.0000
H11 -1.1911 -1.6973 0.0000   -1.4079 -1.5223 0.0000
H12 -2.5615 -1.0310 0.8733   -2.6767 -0.6781 0.8733
H13 -2.5615 -1.0310 -0.8733   -2.6767 -0.6781 -0.8733
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3366 2.4463 3.6945 4.4270 1.0782 1.0758 2.0796 2.6477 4.5158 4.0148 5.1492 5.1492
C2 1.3366 1.4451 2.4856 3.0916 2.1036 2.1087 1.0769 2.1466 3.4275 2.7195 3.8400 3.8400
C3 2.4463 1.4451 1.3396 2.5314 2.6931 3.4283 2.1732 1.0795 2.0697 2.7125 3.2341 3.2341
C4 3.6945 2.4856 1.3396 1.4884 4.0316 4.5893 2.7527 2.0769 1.0792 2.1520 2.1287 2.1287
C5 4.4270 3.0916 2.5314 1.4884 5.0368 5.0997 2.7958 3.4786 2.1855 1.0828 1.0875 1.0875
H6 1.0782 2.1036 2.6931 4.0316 5.0368 1.8433 3.0470 2.4394 4.6535 4.8094 5.7367 5.7367
H7 1.0758 2.1087 3.4283 4.5893 5.0997 1.8433 2.4148 3.7209 5.4870 4.4949 5.8084 5.8084
H8 2.0796 1.0769 2.1732 2.7527 2.7958 3.0470 2.4148 3.0928 3.8154 2.0833 3.5255 3.5255
H9 2.6477 2.1466 1.0795 2.0769 3.4786 2.4394 3.7209 3.0928 2.3393 3.7789 4.0970 4.0970
H10 4.5158 3.4275 2.0697 1.0792 2.1855 4.6535 5.4870 3.8154 2.3393 3.0864 2.5358 2.5358
H11 4.0148 2.7195 2.7125 2.1520 1.0828 4.8094 4.4949 2.0833 3.7789 3.0864 1.7564 1.7564
H12 5.1492 3.8400 3.2341 2.1287 1.0875 5.7367 5.8084 3.5255 4.0970 2.5358 1.7564 1.7467
H13 5.1492 3.8400 3.2341 2.1287 1.0875 5.7367 5.8084 3.5255 4.0970 2.5358 1.7564 1.7467
Maximum atom distance is 5.8084Å 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 123.102 C2 C3 C4 126.364
C3 C4 C5 126.968
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 118.616 C2 C1 H6 120.807
C2 C1 H7 121.509 C2 C3 H9 115.726
C3 C2 H8 118.282 C3 C4 H10 117.267
C4 C3 H9 117.911 C4 C5 H11 112.684
C4 C5 H12 110.491 C4 C5 H13 110.491
C5 C4 H10 115.765 H6 C1 H7 117.684
H11 C5 H12 108.053 H11 C5 H13 108.053
H12 C5 H13 106.852

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