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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

B1B95/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7732 -0.5802 -0.2862   -0.7522 -0.5934 -0.3136
C2 0.4647 0.0204 0.3261   0.4589 0.0245 0.3340
F3 -1.8760 0.1081 0.1531   -1.8804 0.0525 0.1256
F4 1.5235 -0.7632 -0.0049   1.5441 -0.7207 -0.0001
F5 0.6859 1.2553 -0.1809   0.6534 1.2780 -0.1373
H6 -0.7028 -0.5102 -1.3808   -0.6669 -0.4928 -1.4047
H7 -0.8522 -1.6337 0.0144   -0.8065 -1.6563 -0.0416
H8 0.4043 0.1013 1.4214   0.3794 0.0749 1.4299
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5059 1.3722 2.3211 2.3471 1.0991 1.0985 2.1833
C2 1.5059 2.3487 1.3582 1.3532 2.1350 2.1371 1.0999
F3 1.3722 2.3487 3.5130 2.8269 2.0277 2.0252 2.6093
F4 2.3211 1.3582 3.5130 2.1925 2.6294 2.5303 2.0086
F5 2.3471 1.3532 2.8269 2.1925 2.5466 3.2788 1.9946
H6 1.0991 2.1350 2.0277 2.6294 2.5466 1.7976 3.0744
H7 1.0985 2.1371 2.0252 2.5303 3.2788 1.7976 2.5630
H8 2.1833 1.0999 2.6093 2.0086 1.9946 3.0744 2.5630
Maximum atom distance is 3.5130Å 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 108.159 C1 C2 F5 110.240
C2 C1 F3 109.297 F4 C2 F5 107.921
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.901 C2 C1 H6 109.083
C2 C1 H7 109.289 F3 C1 H6 109.780
F3 C1 H7 109.610 F4 C2 H8 109.147
F5 C2 H8 108.354 H6 C1 H7 109.765

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