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Geometry for CH2FCH2OH (2-fluoroethanol) 1A C1

1910171554
InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2 INChIKey=

CCSD(T)=FULL/6-311+G(3df,2p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6794 0.5757 0.2846   -0.6653 0.5967 0.2743
C2 -0.7168 0.5560 -0.2823   0.7429 0.5329 -0.2585
O3 1.4497 -0.5082 -0.1902   -1.4616 -0.4540 -0.2313
F4 -1.3532 -0.6011 0.1578   1.3267 -0.6508 0.1841
H5 1.1841 1.4887 -0.0352   -1.1292 1.5304 -0.0474
H6 0.6270 0.5769 1.3790   -0.6402 0.5847 1.3696
H7 -1.3000 1.4122 0.0617   1.3474 1.3640 0.1094
H8 -0.6969 0.5240 -1.3722   0.7490 0.5129 -1.3488
H9 0.9923 -1.3165 0.0546   -1.0395 -1.2806 0.0155
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7 H8 H9
C1 1.5070 1.4120 2.3521 1.0911 1.0957 2.1603 2.1545 1.9317
C2 1.5070 2.4155 1.3920 2.1318 2.1369 1.0915 1.0906 2.5575
O3 1.4120 2.4155 2.8259 2.0204 2.0776 3.3633 2.6591 0.9604
F4 2.3521 1.3920 2.8259 3.2928 2.6077 2.0163 2.0094 2.4544
H5 1.0911 2.1318 2.0204 3.2928 1.7725 2.4872 2.5014 2.8132
H6 1.0957 2.1369 2.0776 2.6077 1.7725 2.4791 3.0537 2.3393
H7 2.1603 1.0915 3.3633 2.0163 2.4872 2.4791 1.7913 3.5637
H8 2.1545 1.0906 2.6591 2.0094 2.5014 3.0537 1.7913 2.8769
H9 1.9317 2.5575 0.9604 2.4544 2.8132 2.3393 3.5637 2.8769
Maximum atom distance is 3.5637Å between atoms H7 and H9.
picture of 2-fluoroethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 108.392 C2 C1 O3 111.647
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.475 C1 C2 H8 111.064
C1 O3 H9 107.495 C2 C1 H5 109.228
C2 C1 H6 109.357 O3 C1 H5 106.945
O3 C1 H6 111.268

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