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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

TPSSh/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7742 -0.6040 -0.2734   0.7951 -0.5755 -0.2750
C2 0.4722 0.0207 0.3306   -0.4777 -0.0003 0.3234
F3 -1.8739 0.1090 0.1454   1.8677 0.1577 0.1780
F4 1.5425 -0.7476 -0.0129   -1.5204 -0.7898 -0.0551
F5 0.6598 1.2617 -0.1833   -0.6922 1.2469 -0.1644
H6 -0.7029 -0.5648 -1.3657   0.7395 -0.5123 -1.3671
H7 -0.8641 -1.6443 0.0573   0.9091 -1.6205 0.0328
H8 0.4239 0.1008 1.4227   -0.4484 0.0551 1.4177
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5195 1.3759 2.3358 2.3549 1.0953 1.0953 2.1930
C2 1.5195 2.3551 1.3615 1.3563 2.1451 2.1524 1.0961
F3 1.3759 2.3551 3.5258 2.8030 2.0270 2.0253 2.6290
F4 2.3358 1.3615 3.5258 2.2013 2.6278 2.5692 2.0080
F5 2.3549 1.3563 2.8030 2.2013 2.5673 3.2901 1.9957
H6 1.0953 2.1451 2.0270 2.6278 2.5673 1.7934 3.0803
H7 1.0953 2.1524 2.0253 2.5692 3.2901 1.7934 2.5629
H8 2.1930 1.0961 2.6290 2.0080 1.9957 3.0803 2.5629
Maximum atom distance is 3.5258Å 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 108.213 C1 C2 F5 109.816
C2 C1 F3 108.759 F4 C2 F5 108.182
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.952 C2 C1 H6 109.166
C2 C1 H7 109.739 F3 C1 H6 109.698
F3 C1 H7 109.554 F4 C2 H8 109.102
F5 C2 H8 108.470 H6 C1 H7 109.906

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