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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

PBE1PBE/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7726 -0.5844 -0.2844   -0.7515 -0.5979 -0.3116
C2 0.4658 0.0206 0.3263   0.4599 0.0249 0.3342
F3 -1.8767 0.1085 0.1517   -1.8811 0.0527 0.1242
F4 1.5259 -0.7619 -0.0064   1.5466 -0.7191 -0.0013
F5 0.6833 1.2565 -0.1806   0.6505 1.2792 -0.1375
H6 -0.7054 -0.5168 -1.3738   -0.6695 -0.5003 -1.3977
H7 -0.8568 -1.6296 0.0251   -0.8112 -1.6527 -0.0302
H8 0.4113 0.1016 1.4159   0.3865 0.0761 1.4245
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5075 1.3745 2.3221 2.3493 1.0936 1.0932 2.1825
C2 1.5075 2.3506 1.3590 1.3535 2.1333 2.1361 1.0940
F3 1.3745 2.3506 3.5157 2.8252 2.0224 2.0192 2.6141
F4 2.3221 1.3590 3.5157 2.1942 2.6284 2.5360 2.0027
F5 2.3493 1.3535 2.8252 2.1942 2.5489 3.2778 1.9892
H6 1.0936 2.1333 2.0224 2.6284 2.5489 1.7939 3.0679
H7 1.0932 2.1361 2.0192 2.5360 3.2778 1.7939 2.5572
H8 2.1825 1.0940 2.6141 2.0027 1.9892 3.0679 2.5572
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 108.094 C1 C2 F5 110.288
C2 C1 F3 109.209 F4 C2 F5 107.984
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.100 C2 C1 H6 109.165
C2 C1 H7 109.406 F3 C1 H6 109.527
F3 C1 H7 109.282 F4 C2 H8 108.984
F5 C2 H8 108.266 H6 C1 H7 110.235

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