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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

MP2/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2682 -1.2145 0.0000   -0.1129 -1.2092 0.2682
C2 -0.0712 -0.3176 1.2717   1.2367 -0.4345 -0.0712
C3 -0.0712 -0.3176 -1.2717   -1.2957 -0.1980 -0.0712
C4 -0.0712 1.1263 0.6947   0.7964 1.0569 -0.0712
C5 -0.0712 1.1263 -0.6947   -0.5870 1.1861 -0.0712
H6 1.3522 -1.4619 0.0000   -0.1359 -1.4556 1.3522
H7 -0.3074 -2.1653 0.0000   -0.2014 -2.1559 -0.3074
H8 -1.0703 -0.5725 1.6953   1.6347 -0.7277 -1.0703
H9 -1.0703 -0.5725 -1.6953   -1.7412 -0.4124 -1.0703
H10 -0.0995 2.0270 1.3272   1.5099 1.8948 -0.0995
H11 -0.0995 2.0270 -1.3272   -1.1330 2.1417 -0.0995
H12 0.6806 -0.4468 -2.0814   -2.1139 -0.2513 0.6806
H13 0.6806 -0.4468 2.0814   2.0308 -0.6384 0.6806
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5927 1.5927 2.4652 2.4652 1.1119 1.1115 2.2534 2.2534 3.5219 3.5219 2.2565 2.2565
C2 1.5927 2.5434 1.5550 2.4396 2.2255 2.2555 1.1147 3.1411 2.3455 3.5004 3.4388 1.1124
C3 1.5927 2.5434 2.4396 1.5550 2.2255 2.2555 3.1411 1.1147 3.5004 2.3455 1.1124 3.4388
C4 2.4652 1.5550 2.4396 1.3894 3.0344 3.3725 2.2103 3.0978 1.1009 2.2136 3.2782 2.2277
C5 2.4652 2.4396 1.5550 1.3894 3.0344 3.3725 3.0978 2.2103 2.2136 1.1009 2.2277 3.2782
H6 1.1119 2.2255 2.2255 3.0344 3.0344 1.8026 3.0876 3.0876 4.0052 4.0052 2.4112 2.4112
H7 1.1115 2.2555 2.2555 3.3725 3.3725 1.8026 2.4481 2.4481 4.4023 4.4023 2.8743 2.8743
H8 2.2534 1.1147 3.1411 2.2103 3.0978 3.0876 2.4481 3.3906 2.7992 4.1031 4.1647 1.7973
H9 2.2534 3.1411 1.1147 3.0978 2.2103 3.0876 2.4481 3.3906 4.1031 2.7992 1.7973 4.1647
H10 3.5219 2.3455 3.5004 1.1009 2.2136 4.0052 4.4023 2.7992 4.1031 2.6544 4.2833 2.7013
H11 3.5219 3.5004 2.3455 2.2136 1.1009 4.0052 4.4023 4.1031 2.7992 2.6544 2.7013 4.2833
H12 2.2565 3.4388 1.1124 3.2782 2.2277 2.4112 2.8743 4.1647 1.7973 4.2833 2.7013 4.1628
H13 2.2565 1.1124 3.4388 2.2277 3.2782 2.4112 2.8743 1.7973 4.1647 2.7013 4.2833 4.1628
Maximum atom distance is 4.4023Å 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 103.098 C1 C3 C5 103.098
C2 C1 C3 105.963 C2 C4 C5 111.781
C3 C5 C4 111.781
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.447 C1 C2 H13 111.822
C1 C3 H9 111.447 C1 C3 H12 111.822
C2 C1 H6 109.455 C2 C1 H7 111.798
C2 C4 H10 123.128 C3 C1 H6 109.455
C3 C1 H7 111.798 C3 C5 H11 123.128
C4 C2 H8 110.693 C4 C2 H13 112.204
C4 C5 H11 125.065 C5 C3 H9 110.693
C5 C3 H12 112.204 C5 C4 H10 125.065
H6 C1 H7 108.334 H8 C2 H13 107.614
H9 C3 H12 107.614

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