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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

HF/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.1638 1.2770 -0.5992   -2.1838 1.2379 -0.6085
H2 -1.7369 1.1082 1.0910   -1.7634 1.0729 1.0837
C3 -1.4614 0.7938 0.0811   -1.4763 0.7662 0.0746
H4 -2.0537 -1.0855 -0.9008   -2.0280 -1.1214 -0.9151
H5 -1.9987 -1.1883 0.8436   -1.9809 -1.2275 0.8294
C6 -1.4961 -0.7553 -0.0231   -1.4816 -0.7830 -0.0334
H7 0.2645 -1.4237 -1.1356   0.2974 -1.4157 -1.1374
H8 0.1903 -2.0983 0.4858   0.2267 -2.0956 0.4819
C9 -0.0223 -1.2061 -0.1041   0.0008 -1.2061 -0.1071
H10 0.2766 2.1432 0.2295   0.2353 2.1474 0.2362
H11 0.1785 1.2380 -1.2835   0.1627 1.2443 -1.2795
C12 -0.0067 1.1817 -0.2066   -0.0275 1.1819 -0.2038
H13 0.7843 0.0540 1.4472   0.7750 0.0650 1.4517
C14 0.7888 0.0027 0.3496   0.7866 0.0166 0.3541
H15 2.6053 0.6412 0.1964   2.5917 0.6892 0.2128
O16 2.1049 -0.0958 -0.1195   2.1069 -0.0563 -0.1077
Atom - Atom Distances (Å)
  H1 H2 C3 H4 H5 C6 H7 H8 C9 H10 H11 C12 H13 C14 H15 O16
H1 1.7514 1.0907 2.3842 2.8613 2.2154 3.6712 4.2558 3.3162 2.7190 2.4405 2.1946 3.7914 3.3529 4.8766 4.5096
H2 1.7514 1.0930 2.9799 2.3246 2.1844 3.9209 3.7897 3.1183 2.4223 3.0535 2.1640 2.7558 2.8550 4.4579 4.2040
C3 1.0907 1.0930 2.2015 2.1907 1.5530 3.0620 3.3550 2.4708 2.2054 2.1791 1.5328 2.7307 2.4002 4.0711 3.6810
H4 2.3842 2.9799 2.2015 1.7483 1.0910 2.3545 2.8256 2.1854 4.1392 3.2447 3.1325 3.8556 3.2905 5.0884 4.3455
H5 2.8613 2.3246 2.1907 1.7483 1.0915 3.0157 2.3975 2.1920 4.0809 3.8926 3.2693 3.1069 3.0713 4.9962 4.3544
C6 2.2154 2.1844 1.5530 1.0910 1.0915 2.1872 2.2151 1.5434 3.4070 2.8924 2.4503 2.8314 2.4360 4.3382 3.6621
H7 3.6712 3.9209 3.0620 2.3545 3.0157 2.1872 1.7577 1.0925 3.8192 2.6671 2.7793 3.0206 2.1249 3.3937 2.4865
H8 4.2558 3.7897 3.3550 2.8256 2.3975 2.2151 1.7577 1.0905 4.2502 3.7764 3.3581 2.4309 2.1888 3.6634 2.8358
C9 3.3162 3.1183 2.4708 2.1854 2.1920 1.5434 1.0925 1.0905 3.3792 2.7212 2.3901 2.1552 1.5248 3.2260 2.3995
H10 2.7190 2.4223 2.2054 4.1392 4.0809 3.4070 3.8192 4.2502 3.3792 1.7659 1.0931 2.4709 2.2042 2.7712 2.9117
H11 2.4405 3.0535 2.1791 3.2447 3.8926 2.8924 2.6671 3.7764 2.7212 1.7659 1.0942 3.0373 2.1367 2.9044 2.6163
C12 2.1946 2.1640 1.5328 3.1325 3.2693 2.4503 2.7793 3.3581 2.3901 1.0931 1.0942 2.1523 1.5271 2.6975 2.4695
H13 3.7914 2.7558 2.7307 3.8556 3.1069 2.8314 3.0206 2.4309 2.1552 2.4709 3.0373 2.1523 1.0988 2.2858 2.0544
C14 3.3529 2.8550 2.4002 3.2905 3.0713 2.4360 2.1249 2.1888 1.5248 2.2042 2.1367 1.5271 1.0988 1.9315 1.4006
H15 4.8766 4.4579 4.0711 5.0884 4.9962 4.3382 3.3937 3.6634 3.2260 2.7712 2.9044 2.6975 2.2858 1.9315 0.9452
O16 4.5096 4.2040 3.6810 4.3455 4.3544 3.6621 2.4865 2.8358 2.3995 2.9117 2.6163 2.4695 2.0544 1.4006 0.9452
Maximum atom distance is 5.0884Å between atoms H4 and H15.
picture of Cyclopentanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 C6 C9 105.875 C3 C12 C14 103.334
C6 C3 C12 105.135 C6 C9 C14 105.116
C9 C14 C12 103.098 C9 C14 O16 110.145
C12 C14 O16 114.949
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C3 H2 106.651 H1 C3 C6 112.685
H1 C3 C12 112.460 H2 C3 C6 110.074
H2 C3 C12 109.867 C3 C6 H4 111.551
C3 C6 H5 110.659 C3 C12 H10 113.185
C3 C12 H11 110.999 H4 C6 H5 106.463
H4 C6 C9 110.942 H5 C6 C9 111.437
C6 C9 H7 111.001 C6 C9 H8 113.377
H7 C9 H8 107.255 H7 C9 C14 107.408
H8 C9 C14 112.580 C9 C14 H13 109.391
H10 C12 H11 107.672 H10 C12 C14 113.502
H11 C12 C14 108.058 C12 C14 H13 109.006
H13 C14 O16 109.977 C14 O16 H15 109.307

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