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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

B2PLYP=FULLultrafine/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7522 -0.6027 -0.3151   -0.7310 -0.6137 -0.3427
C2 0.4532 0.0205 0.3401   0.4473 0.0234 0.3477
F3 -1.9209 0.0815 0.1651   -1.9247 0.0265 0.1367
F4 1.5757 -0.7781 0.0038   1.5957 -0.7362 0.0084
F5 0.6705 1.3118 -0.1837   0.6380 1.3334 -0.1386
H6 -0.6945 -0.4872 -1.3974   -0.6600 -0.4680 -1.4206
H7 -0.8304 -1.6551 -0.0424   -0.7851 -1.6747 -0.0989
H8 0.3909 0.0994 1.4231   0.3665 0.0717 1.4312
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5069 1.4369 2.3562 2.3889 1.0900 1.0900 2.1957
C2 1.5069 2.3814 1.4180 1.4103 2.1434 2.1451 1.0876
F3 1.4369 2.3814 3.6043 2.8898 2.0661 2.0611 2.6320
F4 2.3562 1.4180 3.6043 2.2852 2.6836 2.5613 2.0465
F5 2.3889 1.4103 2.8898 2.2852 2.5638 3.3279 2.0322
H6 1.0900 2.1434 2.0661 2.6836 2.5638 1.7940 3.0785
H7 1.0900 2.1451 2.0611 2.5613 3.3279 1.7940 2.5918
H8 2.1957 1.0876 2.6320 2.0465 2.0322 3.0785 2.5918
Maximum atom distance is 3.6043Å 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 107.286 C1 C2 F5 109.903
C2 C1 F3 107.962 F4 C2 F5 107.795
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.651 C2 C1 H6 110.218
C2 C1 H7 110.357 F3 C1 H6 108.932
F3 C1 H7 108.533 F4 C2 H8 108.807
F5 C2 H8 108.194 H6 C1 H7 110.765

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