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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

CCSD(T)/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7605 -0.6098 -0.2807   0.7818 -0.5810 -0.2832
C2 0.4666 0.0216 0.3341   -0.4719 0.0002 0.3273
F3 -1.8765 0.0979 0.1481   1.8705 0.1477 0.1794
F4 1.5509 -0.7447 -0.0099   -1.5285 -0.7881 -0.0515
F5 0.6454 1.2726 -0.1837   -0.6790 1.2578 -0.1635
H6 -0.6829 -0.5517 -1.3676   0.7187 -0.4989 -1.3695
H7 -0.8449 -1.6506 0.0355   0.8915 -1.6262 0.0094
H8 0.4126 0.0995 1.4212   -0.4362 0.0534 1.4166
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5108 1.3893 2.3311 2.3515 1.0912 1.0910 2.1853
C2 1.5108 2.3517 1.3716 1.3657 2.1321 2.1460 1.0912
F3 1.3893 2.3517 3.5329 2.8018 2.0356 2.0332 2.6193
F4 2.3311 1.3716 3.5329 2.2180 2.6211 2.5617 2.0141
F5 2.3515 1.3657 2.8018 2.2180 2.5483 3.2885 2.0016
H6 1.0912 2.1321 2.0356 2.6211 2.5483 1.7895 3.0662
H7 1.0910 2.1460 2.0332 2.5617 3.2885 1.7895 2.5621
H8 2.1853 1.0912 2.6193 2.0141 2.0016 3.0662 2.5621
Maximum atom distance is 3.5329Å 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 107.850 C1 C2 F5 109.567
C2 C1 F3 108.296 F4 C2 F5 108.250
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.267 C2 C1 H6 108.985
C2 C1 H7 110.101 F3 C1 H6 109.715
F3 C1 H7 109.533 F4 C2 H8 109.200
F5 C2 H8 108.592 H6 C1 H7 110.181

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