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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

M06-2X/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7676 -0.6087 -0.2653   -0.7454 -0.6236 -0.2927
C2 0.4718 0.0202 0.3294   0.4660 0.0253 0.3372
F3 -1.8532 0.1082 0.1406   -1.8575 0.0510 0.1142
F4 1.5360 -0.7306 -0.0162   1.5568 -0.6853 -0.0107
F5 0.6391 1.2512 -0.1827   0.6049 1.2734 -0.1408
H6 -0.6872 -0.5813 -1.3569   -0.6496 -0.5657 -1.3819
H7 -0.8556 -1.6446 0.0752   -0.8081 -1.6700 0.0200
H8 0.4204 0.0982 1.4216   0.3961 0.0735 1.4300
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5117 1.3628 2.3203 2.3335 1.0949 1.0939 2.1809
C2 1.5117 2.3343 1.3475 1.3438 2.1328 2.1443 1.0961
F3 1.3628 2.3343 3.4950 2.7609 2.0193 2.0179 2.6096
F4 2.3203 1.3475 3.4950 2.1817 2.6005 2.5619 1.9997
F5 2.3335 1.3438 2.7609 2.1817 2.5488 3.2690 1.9877
H6 1.0949 2.1328 2.0193 2.6005 2.5488 1.7916 3.0673
H7 1.0939 2.1443 2.0179 2.5619 3.2690 1.7916 2.5452
H8 2.1809 1.0961 2.6096 1.9997 1.9877 3.0673 2.5452
Maximum atom distance is 3.4950Å 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 108.347 C1 C2 F5 109.469
C2 C1 F3 108.484 F4 C2 F5 108.320
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.527 C2 C1 H6 108.760
C2 C1 H7 109.718 F3 C1 H6 110.014
F3 C1 H7 109.964 F4 C2 H8 109.406
F5 C2 H8 108.687 H6 C1 H7 109.872

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