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Geometry for C5H10O (Cyclopentanol) 1A C1

1910171554
InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2 INChIKey=XCIXKGXIYUWCLL-UHFFFAOYSA-N

B97D3/6-311+G(3df,2p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.1998 1.3027 -0.5263   2.1772 1.3463 -0.5100
H2 -1.7024 1.0583 1.1438   1.6745 1.0887 1.1565
C3 -1.4690 0.7910 0.1065   1.4527 0.8191 0.1171
H4 -1.9908 -1.0340 -1.0054   2.0166 -0.9930 -0.9952
H5 -2.0778 -1.2275 0.7370   2.0967 -1.1885 0.7473
C6 -1.5036 -0.7562 -0.0661   1.5184 -0.7267 -0.0583
H7 0.3033 -1.5002 -1.0713   -0.2676 -1.5035 -1.0762
H8 0.1620 -2.0746 0.5897   -0.1253 -2.0787 0.5845
C9 -0.0219 -1.2179 -0.0639   0.0459 -1.2171 -0.0663
H10 0.2682 2.1576 0.2032   -0.3113 2.1515 0.2059
H11 0.1438 1.2231 -1.3011   -0.1596 1.2229 -1.2995
C12 -0.0210 1.1876 -0.2167   -0.0007 1.1883 -0.2141
H13 0.8034 0.0924 1.4555   -0.8140 0.0736 1.4507
C14 0.7888 0.0149 0.3546   -0.7911 -0.0012 0.3498
H15 2.6226 0.6747 0.1617   -2.6362 0.6233 0.1469
O16 2.1284 -0.0987 -0.1341   -2.1252 -0.1396 -0.1475
Atom - Atom Distances (Å)
  H1 H2 C3 H4 H5 C6 H7 H8 C9 H10 H11 C12 H13 C14 H15 O16
H1 1.7596 1.0937 2.3945 2.8307 2.2216 3.7972 4.2697 3.3631 2.7117 2.4696 2.2036 3.7962 3.3714 4.9115 4.5662
H2 1.7596 1.0964 3.0133 2.3518 2.1899 3.9339 3.6876 3.0764 2.4447 3.0682 2.1668 2.7036 2.8139 4.4518 4.2008
C3 1.0937 1.0964 2.1998 2.2005 1.5572 3.1269 3.3325 2.4817 2.2124 2.1839 1.5357 2.7334 2.4003 4.0936 3.7135
H4 2.3945 3.0133 2.1998 1.7552 1.0940 2.3419 2.8743 2.1901 4.0926 3.1207 3.0721 3.8900 3.2674 5.0562 4.3129
H5 2.8307 2.3518 2.2005 1.7552 1.0939 3.0023 2.3992 2.2064 4.1529 3.8852 3.3125 3.2495 3.1476 5.1032 4.4412
C6 2.2216 2.1899 1.5572 1.0940 1.0939 2.1975 2.2232 1.5520 3.4208 2.8561 2.4493 2.8909 2.4550 4.3732 3.6916
H7 3.7972 3.9339 3.1269 2.3419 3.0023 2.1975 1.7632 1.0956 3.8736 2.7377 2.8390 3.0284 2.1365 3.4102 2.4846
H8 4.2697 3.6876 3.3325 2.8743 2.3992 2.2232 1.7632 1.0932 4.2512 3.8015 3.3655 2.4201 2.1942 3.7144 2.8801
C9 3.3631 3.0764 2.4817 2.1901 2.2064 1.5520 1.0956 1.0932 3.3984 2.7417 2.4104 2.1695 1.5337 3.2598 2.4251
H10 2.7117 2.4447 2.2124 4.0926 4.1529 3.4208 3.8736 4.2512 3.3984 1.7753 1.0957 2.4738 2.2102 2.7828 2.9436
H11 2.4696 3.0682 2.1839 3.1207 3.8852 2.8561 2.7377 3.8015 2.7417 1.7753 1.0975 3.0517 2.1488 2.9300 2.6547
C12 2.2036 2.1668 1.5357 3.0721 3.3125 2.4493 2.8390 3.3655 2.4104 1.0957 1.0975 2.1623 1.5354 2.7194 2.5062
H13 3.7962 2.7036 2.7334 3.8900 3.2495 2.8909 3.0284 2.4201 2.1695 2.4738 3.0517 2.1623 1.1037 2.3071 2.0782
C14 3.3714 2.8139 2.4003 3.2674 3.1476 2.4550 2.1365 2.1942 1.5337 2.2102 2.1488 1.5354 1.1037 1.9584 1.4304
H15 4.9115 4.4518 4.0936 5.0562 5.1032 4.3732 3.4102 3.7144 3.2598 2.7828 2.9300 2.7194 2.3071 1.9584 0.9643
O16 4.5662 4.2008 3.7135 4.3129 4.4412 3.6916 2.4846 2.8801 2.4251 2.9436 2.6547 2.5062 2.0782 1.4304 0.9643
Maximum atom distance is 5.1032Å between atoms H5 and H15.
picture of Cyclopentanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 C6 C9 105.933 C3 C12 C14 103.353
C6 C3 C12 105.260 C6 C9 C14 104.949
C9 C14 C12 103.073 C9 C14 O16 110.237
C12 C14 O16 115.358
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C3 H2 106.643 H1 C3 C6 112.632
H1 C3 C12 112.382 H2 C3 C6 110.052
H2 C3 C12 109.905 C3 C6 H4 111.644
C3 C6 H5 110.589 C3 C12 H10 113.300
C3 C12 H11 110.953 H4 C6 H5 106.496
H4 C6 C9 111.081 H5 C6 C9 111.179
C6 C9 H7 110.953 C6 C9 H8 113.477
H7 C9 H8 107.355 H7 C9 C14 107.259
H8 C9 C14 112.725 C9 C14 H13 109.436
H10 C12 H11 107.855 H10 C12 C14 113.463
H11 C12 C14 107.794 C12 C14 H13 109.015
H13 C14 O16 109.472 C14 O16 H15 108.518

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