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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

MP2=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7551 -0.6135 -0.2756   -0.7330 -0.6272 -0.3029
C2 0.4652 0.0219 0.3346   0.4594 0.0263 0.3422
F3 -1.8714 0.0962 0.1445   -1.8753 0.0395 0.1177
F4 1.5509 -0.7392 -0.0125   1.5715 -0.6945 -0.0073
F5 0.6359 1.2726 -0.1833   0.6018 1.2943 -0.1407
H6 -0.6757 -0.5643 -1.3640   -0.6389 -0.5475 -1.3883
H7 -0.8414 -1.6528 0.0495   -0.7944 -1.6766 -0.0059
H8 0.4176 0.1015 1.4226   0.3934 0.0762 1.4311
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5050 1.3879 2.3244 2.3454 1.0924 1.0924 2.1841
C2 1.5050 2.3455 1.3706 1.3644 2.1284 2.1431 1.0920
F3 1.3879 2.3455 3.5263 2.7889 2.0350 2.0320 2.6217
F4 2.3244 1.3706 3.5263 2.2167 2.6105 2.5616 2.0126
F5 2.3454 1.3644 2.7889 2.2167 2.5472 3.2855 1.9995
H6 1.0924 2.1284 2.0350 2.6105 2.5472 1.7917 3.0665
H7 1.0924 2.1431 2.0320 2.5616 3.2855 1.7917 2.5589
H8 2.1841 1.0920 2.6217 2.0126 1.9995 3.0665 2.5589
Maximum atom distance is 3.5263Å 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 107.770 C1 C2 F5 109.545
C2 C1 F3 108.275 F4 C2 F5 108.289
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.541 C2 C1 H6 109.024
C2 C1 H7 110.185 F3 C1 H6 109.693
F3 C1 H7 109.444 F4 C2 H8 109.107
F5 C2 H8 108.468 H6 C1 H7 110.190

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