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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

MP4/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7708 -0.6076 -0.2892   0.7921 -0.5786 -0.2911
C2 0.4647 0.0191 0.3376   -0.4701 -0.0020 0.3306
F3 -1.9009 0.1064 0.1518   1.8946 0.1563 0.1843
F4 1.5589 -0.7613 -0.0085   -1.5362 -0.8045 -0.0508
F5 0.6748 1.2793 -0.1852   -0.7082 1.2638 -0.1661
H6 -0.7119 -0.5380 -1.3883   0.7478 -0.4847 -1.3890
H7 -0.8696 -1.6562 0.0383   0.9158 -1.6315 0.0135
H8 0.4229 0.1060 1.4360   -0.4474 0.0600 1.4313
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5206 1.4076 2.3516 2.3793 1.1028 1.1030 2.2160
C2 1.5206 2.3745 1.3879 1.3804 2.1618 2.1626 1.1026
F3 1.4076 2.3745 3.5705 2.8502 2.0496 2.0453 2.6550
F4 2.3516 1.3879 3.5705 2.2309 2.6665 2.5885 2.0321
F5 2.3793 1.3804 2.8502 2.2309 2.5832 3.3245 2.0171
H6 1.1028 2.1618 2.0496 2.6665 2.5832 1.8195 3.1112
H7 1.1030 2.1626 2.0453 2.5885 3.3245 1.8195 2.5941
H8 2.2160 1.1026 2.6550 2.0321 2.0171 3.1112 2.5941
Maximum atom distance is 3.5705Å 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 107.816 C1 C2 F5 110.109
C2 C1 F3 108.303 F4 C2 F5 107.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.352 C2 C1 H6 109.963
C2 C1 H7 110.009 F3 C1 H6 108.855
F3 C1 H7 108.499 F4 C2 H8 108.820
F5 C2 H8 108.130 H6 C1 H7 111.145

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