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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

MP2/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7677 -0.6049 -0.2870   0.7874 -0.5781 -0.2889
C2 0.4637 0.0195 0.3353   -0.4694 -0.0005 0.3278
F3 -1.8938 0.1050 0.1507   1.8878 0.1484 0.1852
F4 1.5526 -0.7593 -0.0087   -1.5325 -0.7973 -0.0538
F5 0.6715 1.2760 -0.1838   -0.7006 1.2630 -0.1635
H6 -0.7075 -0.5381 -1.3826   0.7433 -0.4853 -1.3834
H7 -0.8621 -1.6502 0.0400   0.9030 -1.6286 0.0137
H8 0.4214 0.1049 1.4301   -0.4471 0.0583 1.4249
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5144 1.4013 2.3420 2.3706 1.0993 1.0993 2.2060
C2 1.5144 2.3663 1.3822 1.3753 2.1526 2.1524 1.0990
F3 1.4013 2.3663 3.5567 2.8397 2.0426 2.0390 2.6452
F4 2.3420 1.3822 3.5567 2.2247 2.6541 2.5743 2.0240
F5 2.3706 1.3753 2.8397 2.2247 2.5748 3.3113 2.0096
H6 1.0993 2.1526 2.0426 2.6541 2.5748 1.8124 3.0982
H7 1.0993 2.1524 2.0390 2.5743 3.3113 1.8124 2.5807
H8 2.2060 1.0990 2.6452 2.0240 2.0096 3.0982 2.5807
Maximum atom distance is 3.5567Å 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 107.818 C1 C2 F5 110.148
C2 C1 F3 108.433 F4 C2 F5 107.566
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.212 C2 C1 H6 109.872
C2 C1 H7 109.854 F3 C1 H6 108.939
F3 C1 H7 108.647 F4 C2 H8 108.787
F5 C2 H8 108.109 H6 C1 H7 111.040

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