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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=FULL/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7739 -0.5926 -0.2832   0.7948 -0.5633 -0.2851
C2 0.4694 0.0213 0.3281   -0.4746 -0.0000 0.3212
F3 -1.8803 0.1080 0.1510   1.8739 0.1579 0.1826
F4 1.5354 -0.7585 -0.0072   -1.5125 -0.8016 -0.0488
F5 0.6754 1.2623 -0.1823   -0.7089 1.2465 -0.1628
H6 -0.7014 -0.5331 -1.3819   0.7368 -0.4795 -1.3831
H7 -0.8555 -1.6456 0.0324   0.9021 -1.6208 0.0067
H8 0.4092 0.1003 1.4259   -0.4329 0.0542 1.4214
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5153 1.3797 2.3316 2.3561 1.1027 1.1023 2.1910
C2 1.5153 2.3579 1.3626 1.3576 2.1452 2.1497 1.1023
F3 1.3797 2.3579 3.5274 2.8241 2.0373 2.0345 2.6205
F4 2.3316 1.3626 3.5274 2.2031 2.6351 2.5505 2.0148
F5 2.3561 1.3576 2.8241 2.2031 2.5609 3.2933 2.0019
H6 1.1027 2.1452 2.0373 2.6351 2.5609 1.8060 3.0851
H7 1.1023 2.1497 2.0345 2.5505 3.2933 1.8060 2.5670
H8 2.1910 1.1023 2.6205 2.0148 2.0019 3.0851 2.5670
Maximum atom distance is 3.5274Å 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 108.107 C1 C2 F5 110.074
C2 C1 F3 108.985 F4 C2 F5 108.173
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.701 C2 C1 H6 109.034
C2 C1 H7 109.409 F3 C1 H6 109.810
F3 C1 H7 109.608 F4 C2 H8 109.194
F5 C2 H8 108.492 H6 C1 H7 109.973

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