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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

HF/CEP-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7880 -0.5503 -0.3551   -0.7675 -0.5598 -0.3840
C2 0.4497 0.0164 0.3302   0.4435 0.0184 0.3385
F3 -1.9197 0.1052 0.1956   -1.9248 0.0513 0.1644
F4 1.5306 -0.8150 0.0229   1.5504 -0.7765 0.0275
F5 0.7567 1.2725 -0.1838   0.7268 1.2958 -0.1352
H6 -0.7680 -0.3543 -1.4187   -0.7345 -0.3336 -1.4413
H7 -0.8852 -1.6078 -0.1482   -0.8410 -1.6248 -0.2081
H8 0.3735 0.1009 1.4035   0.3469 0.0709 1.4121
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5241 1.4190 2.3641 2.3954 1.0817 1.0819 2.2059
C2 1.5241 2.3749 1.3978 1.3915 2.1631 2.1561 1.0793
F3 1.4190 2.3749 3.5751 2.9444 2.0355 2.0305 2.5919
F4 2.3641 1.3978 3.5751 2.2359 2.7522 2.5483 2.0208
F5 2.3954 1.3915 2.9444 2.2359 2.5488 3.3156 2.0097
H6 1.0817 2.1631 2.0355 2.7522 2.5488 1.7887 3.0782
H7 1.0819 2.1561 2.0305 2.5483 3.3156 1.7887 2.6290
H8 2.2059 1.0793 2.5919 2.0208 2.0097 3.0782 2.6290
Maximum atom distance is 3.5751Å 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 107.938 C1 C2 F5 110.407
C2 C1 F3 107.542 F4 C2 F5 106.565
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.769 C2 C1 H6 111.088
C2 C1 H7 110.507 F3 C1 H6 108.215
F3 C1 H7 107.798 F4 C2 H8 108.654
F5 C2 H8 108.189 H6 C1 H7 111.522

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