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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

B2PLYP/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7628 -0.6078 -0.2748   -0.7409 -0.6218 -0.3020
C2 0.4685 0.0222 0.3322   0.4626 0.0268 0.3400
F3 -1.8754 0.1007 0.1447   -1.8795 0.0440 0.1179
F4 1.5469 -0.7461 -0.0123   1.5676 -0.7016 -0.0071
F5 0.6487 1.2702 -0.1827   0.6148 1.2923 -0.1401
H6 -0.6869 -0.5635 -1.3639   -0.6500 -0.5472 -1.3883
H7 -0.8485 -1.6471 0.0513   -0.8017 -1.6712 -0.0039
H8 0.4197 0.1012 1.4203   0.3954 0.0762 1.4288
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5104 1.3842 2.3287 2.3512 1.0927 1.0926 2.1850
C2 1.5104 2.3527 1.3682 1.3621 2.1341 2.1447 1.0920
F3 1.3842 2.3527 3.5290 2.8011 2.0322 2.0294 2.6258
F4 2.3287 1.3682 3.5290 2.2139 2.6172 2.5600 2.0102
F5 2.3512 1.3621 2.8011 2.2139 2.5577 3.2874 1.9971
H6 1.0927 2.1341 2.0322 2.6172 2.5577 1.7897 3.0689
H7 1.0926 2.1447 2.0294 2.5600 3.2874 1.7897 2.5572
H8 2.1850 1.0920 2.6258 2.0102 1.9971 3.0689 2.5572
Maximum atom distance is 3.5290Å 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 107.885 C1 C2 F5 109.765
C2 C1 F3 108.660 F4 C2 F5 108.362
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.216 C2 C1 H6 109.085
C2 C1 H7 109.921 F3 C1 H6 109.704
F3 C1 H7 109.481 F4 C2 H8 109.072
F5 C2 H8 108.436 H6 C1 H7 109.968

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