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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

mPW1PW91/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7684 -0.5975 -0.2734   -0.7468 -0.6116 -0.3005
C2 0.4698 0.0225 0.3290   0.4639 0.0272 0.3368
F3 -1.8718 0.1056 0.1446   -1.8760 0.0491 0.1177
F4 1.5343 -0.7513 -0.0119   1.5551 -0.7072 -0.0068
F5 0.6616 1.2618 -0.1816   0.6280 1.2842 -0.1390
H6 -0.6922 -0.5570 -1.3637   -0.6554 -0.5408 -1.3881
H7 -0.8502 -1.6387 0.0503   -0.8037 -1.6628 -0.0048
H8 0.4172 0.1008 1.4195   0.3928 0.0758 1.4279
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5100 1.3735 2.3225 2.3474 1.0937 1.0935 2.1814
C2 1.5100 2.3503 1.3594 1.3540 2.1333 2.1400 1.0945
F3 1.3735 2.3503 3.5157 2.8039 2.0262 2.0237 2.6201
F4 2.3225 1.3594 3.5157 2.2006 2.6119 2.5450 2.0056
F5 2.3474 1.3540 2.8039 2.2006 2.5570 3.2791 1.9927
H6 1.0937 2.1333 2.0262 2.6119 2.5570 1.7873 3.0675
H7 1.0935 2.1400 2.0237 2.5450 3.2791 1.7873 2.5508
H8 2.1814 1.0945 2.6201 2.0056 1.9927 3.0675 2.5508
Maximum atom distance is 3.5157Å 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 107.961 C1 C2 F5 109.972
C2 C1 F3 109.099 F4 C2 F5 108.388
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.793 C2 C1 H6 108.986
C2 C1 H7 109.527 F3 C1 H6 109.898
F3 C1 H7 109.709 F4 C2 H8 109.155
F5 C2 H8 108.481 H6 C1 H7 109.604

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