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Geometry for C2HF3 (Trifluoroethylene) 1A' CS

1910171554
InChI=1S/C2HF3/c3-1-2(4)5/h1H INChIKey=MIZLGWKEZAPEFJ-UHFFFAOYSA-N

MP2=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4326 0.0000   0.4318 0.0270 0.0000
C2 -0.7158 -0.6875 0.0000   -0.6414 -0.7574 0.0000
F3 1.3261 0.4942 0.0000   0.4103 1.3544 0.0000
F4 -0.5590 1.6436 0.0000   1.6753 -0.4552 0.0000
F5 -0.0909 -1.8891 0.0000   -1.8798 -0.2088 0.0000
H6 -1.7904 -0.7085 0.0000   -0.5952 -1.8312 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6
C1 1.3292 1.3275 1.3338 2.3235 2.1231
C2 1.3292 2.3591 2.3363 1.3545 1.0748
F3 1.3275 2.3591 2.2079 2.7727 3.3405
F4 1.3338 2.3363 2.2079 3.5636 2.6550
F5 2.3235 1.3545 2.7727 3.5636 2.0693
H6 2.1231 1.0748 3.3405 2.6550 2.0693
Maximum atom distance is 3.5636Å between atoms F4 and F5.
picture of Trifluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 119.943 C2 C1 F3 125.240
C2 C1 F4 122.639 F3 C1 F4 112.121
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 123.705 F5 C2 H6 116.352

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