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


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7671 -0.6090 -0.2694   -0.7449 -0.6236 -0.2969
C2 0.4723 0.0211 0.3308   0.4664 0.0261 0.3386
F3 -1.8612 0.1068 0.1428   -1.8654 0.0496 0.1162
F4 1.5395 -0.7354 -0.0146   1.5603 -0.6903 -0.0092
F5 0.6429 1.2564 -0.1834   0.6088 1.2786 -0.1411
H6 -0.6880 -0.5746 -1.3606   -0.6505 -0.5586 -1.3854
H7 -0.8551 -1.6465 0.0667   -0.8078 -1.6716 0.0112
H8 0.4207 0.0993 1.4220   0.3963 0.0743 1.4305
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5144 1.3709 2.3240 2.3399 1.0946 1.0941 2.1848
C2 1.5144 2.3426 1.3530 1.3489 2.1358 2.1477 1.0952
F3 1.3709 2.3426 3.5069 2.7746 2.0250 2.0229 2.6160
F4 2.3240 1.3530 3.5069 2.1908 2.6075 2.5634 2.0031
F5 2.3399 1.3489 2.7746 2.1908 2.5514 3.2762 1.9914
H6 1.0946 2.1358 2.0250 2.6075 2.5514 1.7928 3.0702
H7 1.0941 2.1477 2.0229 2.5634 3.2762 1.7928 2.5519
H8 2.1848 1.0952 2.6160 2.0031 1.9914 3.0702 2.5519
Maximum atom distance is 3.5069Å 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 108.160 C1 C2 F5 109.484
C2 C1 F3 108.465 F4 C2 F5 108.356
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.709 C2 C1 H6 108.837
C2 C1 H7 109.797 F3 C1 H6 109.936
F3 C1 H7 109.790 F4 C2 H8 109.355
F5 C2 H8 108.688 H6 C1 H7 109.989

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