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Geometry for CHF2CH2F (Ethane, 1,1,2-trifluoro) 1A C1

1910171554
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2 INChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N

B97D3/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7619 -0.5965 -0.3062   -0.7416 -0.6077 -0.3330
C2 0.4683 0.0282 0.3390   0.4625 0.0314 0.3466
F3 -1.9225 0.0805 0.1586   -1.9260 0.0270 0.1315
F4 1.5663 -0.7842 0.0010   1.5861 -0.7435 0.0045
F5 0.6732 1.3126 -0.1817   0.6413 1.3337 -0.1377
H6 -0.6637 -0.5035 -1.3968   -0.6301 -0.4837 -1.4192
H7 -0.7962 -1.6590 -0.0300   -0.7522 -1.6775 -0.0847
H8 0.3683 0.0926 1.4298   0.3451 0.0647 1.4371
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5232 1.4217 2.3560 2.3916 1.0990 1.0983 2.1832
C2 1.5232 2.3982 1.4071 1.4009 2.1395 2.1406 1.0973
F3 1.4217 2.3982 3.5978 2.8933 2.0844 2.0808 2.6199
F4 2.3560 1.4071 3.5978 2.2864 2.6468 2.5195 2.0605
F5 2.3916 1.4009 2.8933 2.2864 2.5616 3.3185 2.0441
H6 1.0990 2.1395 2.0844 2.6468 2.5616 1.7947 3.0676
H7 1.0983 2.1406 2.0808 2.5195 3.3185 1.7947 2.5604
H8 2.1832 1.0973 2.6199 2.0605 2.0441 3.0676 2.5604
Maximum atom distance is 3.5978Å between atoms F3 and F4.
picture of Ethane, 1,1,2-trifluoro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 106.959 C1 C2 F5 109.675
C2 C1 F3 108.995 F4 C2 F5 109.024
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.811 C2 C1 H6 108.267
C2 C1 H7 108.388 F3 C1 H6 110.925
F3 C1 H7 110.669 F4 C2 H8 110.107
F5 C2 H8 109.210 H6 C1 H7 109.525

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