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Geometry for CH2CHCH2F (Allyl Fluoride) 1A C1 gauche

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

QCISD/daug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6117 0.4259 0.3459   -0.5942 0.5196 0.2286
C2 0.6500 -0.3887 0.2606   0.6518 -0.3156 0.3422
C3 1.8076 0.1011 -0.2281   1.8010 -0.0085 -0.2932
F4 -1.6465 -0.2205 -0.3700   -1.6603 -0.2766 -0.2515
H5 2.7186 -0.5031 -0.2538   2.7015 -0.6170 -0.1723
H6 1.8756 1.1248 -0.6123   1.8725 0.8656 -0.9498
H7 0.5920 -1.4173 0.6346   0.5898 -1.1974 0.9900
H8 -0.9657 0.5232 1.3860   -0.9143 0.9112 1.2088
H9 -0.4777 1.4266 -0.0958   -0.4588 1.3540 -0.4784
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.5043 2.5076 1.4146 3.5091 2.7556 2.2202 1.1030 1.1021
C2 1.5043 1.3486 2.3874 2.1347 2.1342 1.0960 2.1700 2.1666
C3 2.5076 1.3486 3.4719 1.0935 1.0955 2.1277 3.2365 2.6453
F4 1.4146 2.3874 3.4719 4.3758 3.7780 2.7299 2.0248 2.0381
H5 3.5091 2.1347 1.0935 4.3758 1.8680 2.4794 4.1614 3.7371
H6 2.7556 2.1342 1.0955 3.7780 1.8680 3.1087 3.5253 2.4281
H7 2.2202 1.0960 2.1277 2.7299 2.4794 3.1087 2.5994 3.1250
H8 1.1030 2.1700 3.2365 2.0248 4.1614 3.5253 2.5994 1.8028
H9 1.1021 2.1666 2.6453 2.0381 3.7371 2.4281 3.1250 1.8028
Maximum atom distance is 4.3758Å between atoms F4 and H5.
picture of Allyl Fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 122.946 C2 C1 F4 109.719
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.390 C2 C1 H8 111.744
C2 C1 H9 111.533 C2 C3 H5 121.531
C2 C3 H6 121.310 C3 C2 H7 120.658
F4 C1 H8 106.426 F4 C1 H9 107.517
H5 C3 H6 117.158

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