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Geometry for CH3COF (Acetyl fluoride) 1A' NULL

1910171554
InChI=1S/C2H3FO/c1-2(3)4/h1H3 INChIKey=JUCMRTZQCZRJDC-UHFFFAOYSA-N

B1B95/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1853 0.0000   0.1134 -0.1465 0.0000
C2 1.0374 -0.8782 0.0000   -1.3579 0.0589 0.0000
O3 0.1317 1.3558 0.0000   0.7262 -1.1525 0.0000
F4 -1.2352 -0.3600 0.0000   0.7560 1.0411 0.0000
H5 2.0232 -0.4308 0.0000   -1.8633 -0.8984 0.0000
H6 0.9077 -1.5090 0.8762   -1.6417 0.6371 0.8762
H7 0.9077 -1.5090 -0.8762   -1.6417 0.6371 -0.8762
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4856 1.1780 1.3502 2.1149 2.1124 2.1124
C2 1.4856 2.4106 2.3309 1.0825 1.0874 1.0874
O3 1.1780 2.4106 2.1938 2.6019 3.0947 3.0947
F4 1.3502 2.3309 2.1938 3.2592 2.5846 2.5846
H5 2.1149 1.0825 2.6019 3.2592 1.7817 1.7817
H6 2.1124 1.0874 3.0947 2.5846 1.7817 1.7523
H7 2.1124 1.0874 3.0947 2.5846 1.7817 1.7523
Maximum atom distance is 3.2592Å between atoms F4 and H5.
picture of Acetyl fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 129.288 C2 C1 F4 110.472
O3 C1 F4 120.239
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.884 C1 C2 H6 109.389
C1 C2 H7 109.389 H5 C2 H6 110.387
H5 C2 H7 110.387 H6 C2 H7 107.360

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