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Geometry for C5H8 (Cyclopentene) 1A' CS

1910171554
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2 INChIKey=LPIQUOYDBNQMRZ-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2580 -1.2024 0.0000   0.0000 -1.2228 0.1312
C2 -0.0672 -0.3264 1.2305   1.2305 -0.3176 -0.1009
C3 -0.0672 -0.3264 -1.2305   -1.2305 -0.3176 -0.1009
C4 -0.0672 1.0709 0.6579   0.6579 1.0721 0.0448
C5 -0.0672 1.0709 -0.6579   -0.6579 1.0721 0.0448
H6 1.3171 -1.4395 0.0000   0.0000 -1.5690 1.1598
H7 -0.2820 -2.1424 0.0000   0.0000 -2.1013 -0.5039
H8 -1.0421 -0.5647 1.6538   1.6538 -0.4530 -1.0953
H9 -1.0421 -0.5647 -1.6538   -1.6538 -0.4530 -1.0953
H10 -0.0999 1.9506 1.2760   1.2760 1.9504 0.1040
H11 -0.0999 1.9506 -1.2760   -1.2760 1.9504 0.1040
H12 0.6569 -0.4551 -2.0301   -2.0301 -0.5212 0.6058
H13 0.6569 -0.4551 2.0301   2.0301 -0.5212 0.6058
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5451 1.5451 2.3889 2.3889 1.0853 1.0841 2.1982 2.1982 3.4202 3.4202 2.1998 2.1998
C2 1.5451 2.4611 1.5101 2.3492 2.1609 2.2042 1.0892 3.0540 2.2777 3.3865 3.3426 1.0864
C3 1.5451 2.4611 2.3492 1.5101 2.1609 2.2042 3.0540 1.0892 3.3865 2.2777 1.0864 3.3426
C4 2.3889 1.5101 2.3492 1.3158 2.9414 3.2871 2.1489 2.9950 1.0756 2.1249 3.1747 2.1763
C5 2.3889 2.3492 1.5101 1.3158 2.9414 3.2871 2.9950 2.1489 2.1249 1.0756 2.1763 3.1747
H6 1.0853 2.1609 2.1609 2.9414 2.9414 1.7468 3.0110 3.0110 3.8896 3.8896 2.3508 2.3508
H7 1.0841 2.2042 2.2042 3.2871 3.2871 1.7468 2.4087 2.4087 4.2912 4.2912 2.8018 2.8018
H8 2.1982 1.0892 3.0540 2.1489 2.9950 3.0110 2.4087 3.3077 2.7125 3.9748 4.0583 1.7436
H9 2.1982 3.0540 1.0892 2.9950 2.1489 3.0110 2.4087 3.3077 3.9748 2.7125 1.7436 4.0583
H10 3.4202 2.2777 3.3865 1.0756 2.1249 3.8896 4.2912 2.7125 3.9748 2.5521 4.1583 2.6323
H11 3.4202 3.3865 2.2777 2.1249 1.0756 3.8896 4.2912 3.9748 2.7125 2.5521 2.6323 4.1583
H12 2.1998 3.3426 1.0864 3.1747 2.1763 2.3508 2.8018 4.0583 1.7436 4.1583 2.6323 4.0603
H13 2.1998 1.0864 3.3426 2.1763 3.1747 2.3508 2.8018 1.7436 4.0583 2.6323 4.1583 4.0603
Maximum atom distance is 4.2912Å between atoms H7 and H10.
picture of Cyclopentene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 102.864 C1 C3 C5 102.864
C2 C1 C3 105.575 C2 C4 C5 112.283
C3 C5 C4 112.283
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.952 C1 C2 H13 112.252
C1 C3 H9 111.952 C1 C3 H12 112.252
C2 C1 H6 109.225 C2 C1 H7 112.753
C2 C4 H10 122.606 C3 C1 H6 109.225
C3 C1 H7 112.753 C3 C5 H11 122.606
C4 C2 H8 110.478 C4 C2 H13 112.877
C4 C5 H11 125.075 C5 C3 H9 110.478
C5 C3 H12 112.877 C5 C4 H10 125.075
H6 C1 H7 107.257 H8 C2 H13 106.532
H9 C3 H12 106.532

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