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Geometry for CH2CHCH2F (Allyl Fluoride) 1A' CS cis

1910171554
InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2 INChIKey=QCMKXHXKNIOBBC-UHFFFAOYSA-N

CCD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9517 -0.2008 0.0000   -0.7125 -0.6620 0.0000
C2 0.0000 0.9585 0.0000   0.7833 -0.5524 0.0000
C3 1.3282 0.8323 0.0000   1.4456 0.6058 0.0000
F4 -0.2640 -1.4094 0.0000   -1.3039 0.5965 0.0000
H5 1.9774 1.7036 0.0000   2.5318 0.6342 0.0000
H6 1.8030 -0.1442 0.0000   0.9212 1.5565 0.0000
H7 -0.4696 1.9435 0.0000   1.3176 -1.5038 0.0000
H8 -1.5968 -0.1792 0.8892   -1.0667 -1.2017 0.8892
H9 -1.5968 -0.1792 -0.8892   -1.0667 -1.2017 -0.8892
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4998 2.5029 1.3905 3.4937 2.7552 2.1978 1.0988 1.0988
C2 1.4998 1.3341 2.3825 2.1131 2.1134 1.0912 2.1528 2.1528
C3 2.5029 1.3341 2.7495 1.0866 1.0858 2.1135 3.2201 3.2201
F4 1.3905 2.3825 2.7495 3.8360 2.4234 3.3592 2.0200 2.0200
H5 3.4937 2.1131 1.0866 3.8360 1.8560 2.4587 4.1365 4.1365
H6 2.7552 2.1134 1.0858 2.4234 1.8560 3.0859 3.5143 3.5143
H7 2.1978 1.0912 2.1135 3.3592 2.4587 3.0859 2.5626 2.5626
H8 1.0988 2.1528 3.2201 2.0200 4.1365 3.5143 2.5626 1.7784
H9 1.0988 2.1528 3.2201 2.0200 4.1365 3.5143 2.5626 1.7784
Maximum atom distance is 4.1365Å between atoms H5 and H8.
picture of Allyl Fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.956 C2 C1 F4 110.978
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.127 C2 C1 H8 110.939
C2 C1 H9 110.939 C2 C3 H5 121.263
C2 C3 H6 121.359 C3 C2 H7 120.917
F4 C1 H8 107.903 F4 C1 H9 107.903
H5 C3 H6 117.378

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