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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

PBE1PBE/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.1711 1.2697 -0.6051   -2.1917 1.2295 -0.6139
H2 -1.7433 1.1080 1.0913   -1.7702 1.0715 1.0845
C3 -1.4649 0.7899 0.0795   -1.4801 0.7615 0.0734
H4 -2.0579 -1.0968 -0.8937   -2.0316 -1.1337 -0.9078
H5 -1.9884 -1.1928 0.8558   -1.9698 -1.2330 0.8418
C6 -1.4930 -0.7588 -0.0191   -1.4781 -0.7872 -0.0293
H7 0.2689 -1.4039 -1.1471   0.3020 -1.3954 -1.1492
H8 0.2018 -2.1035 0.4715   0.2395 -2.1004 0.4672
C9 -0.0203 -1.2025 -0.1083   0.0033 -1.2024 -0.1114
H10 0.2684 2.1501 0.2216   0.2259 2.1542 0.2285
H11 0.1755 1.2266 -1.2897   0.1590 1.2332 -1.2856
C12 -0.0135 1.1816 -0.2091   -0.0350 1.1817 -0.2061
H13 0.7716 0.0568 1.4567   0.7624 0.0677 1.4611
C14 0.7870 0.0061 0.3531   0.7848 0.0203 0.3575
H15 2.5973 0.6743 0.2011   2.5828 0.7235 0.2171
O16 2.1132 -0.0983 -0.1174   2.1153 -0.0575 -0.1060
Atom - Atom Distances (Å)
  H1 H2 C3 H4 H5 C6 H7 H8 C9 H10 H11 C12 H13 C14 H15 O16
H1 1.7570 1.0944 2.3867 2.8691 2.2177 3.6600 4.2624 3.3143 2.7221 2.4448 2.1955 3.7924 3.3564 4.8727 4.5238
H2 1.7570 1.0966 2.9833 2.3258 2.1865 3.9203 3.8054 3.1219 2.4268 3.0602 2.1653 2.7502 2.8568 4.4522 4.2177
C3 1.0944 1.0966 2.2042 2.1927 1.5521 3.0533 3.3620 2.4681 2.2078 2.1809 1.5307 2.7269 2.4000 4.0656 3.6919
H4 2.3867 2.9833 2.2042 1.7535 1.0946 2.3606 2.8255 2.1863 4.1470 3.2470 3.1368 3.8551 3.2961 5.0997 4.3587
H5 2.8691 2.3258 2.1927 1.7535 1.0951 3.0251 2.4028 2.1915 4.0829 3.8909 3.2668 3.0887 3.0648 4.9944 4.3552
C6 2.2177 2.1865 1.5521 1.0946 1.0951 2.1892 2.2184 1.5407 3.4092 2.8880 2.4475 2.8235 2.4336 4.3398 3.6676
H7 3.6600 3.9203 3.0533 2.3606 3.0251 2.1892 1.7646 1.0970 3.8084 2.6360 2.7648 3.0276 2.1230 3.3998 2.4832
H8 4.2624 3.8054 3.3620 2.8255 2.4028 2.2184 1.7646 1.0941 4.2614 3.7672 3.3617 2.4417 2.1924 3.6780 2.8321
C9 3.3143 3.1219 2.4681 2.1863 2.1915 1.5407 1.0970 1.0941 3.3811 2.7083 2.3862 2.1592 1.5250 3.2358 2.4024
H10 2.7221 2.4268 2.2078 4.1470 4.0829 3.4092 3.8084 4.2614 3.3811 1.7735 1.0968 2.4820 2.2097 2.7572 2.9280
H11 2.4448 3.0602 2.1809 3.2470 3.8909 2.8880 2.6360 3.7672 2.7083 1.7735 1.0980 3.0441 2.1360 2.8970 2.6238
C12 2.1955 2.1653 1.5307 3.1368 3.2668 2.4475 2.7648 3.3617 2.3862 1.0968 1.0980 2.1578 1.5292 2.6911 2.4838
H13 3.7924 2.7502 2.7269 3.8551 3.0887 2.8235 3.0276 2.4417 2.1592 2.4820 3.0441 2.1578 1.1048 2.3002 2.0741
C14 3.3564 2.8568 2.4000 3.2961 3.0648 2.4336 2.1230 2.1924 1.5250 2.2097 2.1360 1.5292 1.1048 1.9357 1.4111
H15 4.8727 4.4522 4.0656 5.0997 4.9944 4.3398 3.3998 3.6780 3.2358 2.7572 2.8970 2.6911 2.3002 1.9357 0.9658
O16 4.5238 4.2177 3.6919 4.3587 4.3552 3.6676 2.4832 2.8321 2.4024 2.9280 2.6238 2.4838 2.0741 1.4111 0.9658
Maximum atom distance is 5.0997Å 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 105.883 C3 C12 C14 103.316
C6 C3 C12 105.104 C6 C9 C14 105.087
C9 C14 C12 102.761 C9 C14 O16 109.756
C12 C14 O16 115.231
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C3 H2 106.626 H1 C3 C6 112.706
H1 C3 C12 112.444 H2 C3 C6 110.088
H2 C3 C12 109.906 C3 C6 H4 111.607
C3 C6 H5 110.666 C3 C12 H10 113.306
C3 C12 H11 111.053 H4 C6 H5 106.413
H4 C6 C9 110.986 H5 C6 C9 111.372
C6 C9 H7 111.079 C6 C9 H8 113.613
H7 C9 H8 107.286 H7 C9 C14 107.003
H8 C9 C14 112.633 C9 C14 H13 109.342
H10 C12 H11 107.818 H10 C12 C14 113.569
H11 C12 C14 107.654 C12 C14 H13 108.947
H13 C14 O16 110.458 C14 O16 H15 107.574

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