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Geometry for CHF3 (Methane, trifluoro-) 1A1 C3V

1910171554
InChI=1S/CHF3/c2-1(3)4/h1H INChIKey=XPDWGBQVDMORPB-UHFFFAOYSA-N

B2PLYP/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3389   0.0000 0.0000 0.3389
H2 0.0000 0.0000 1.4257   0.0000 0.0000 1.4257
F3 0.0000 1.2553 -0.1281   1.2553 0.0000 -0.1281
F4 1.0871 -0.6277 -0.1281   -0.6277 1.0871 -0.1281
F5 -1.0871 -0.6277 -0.1281   -0.6277 -1.0871 -0.1281
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.0867 1.3394 1.3394 1.3394
H2 1.0867 1.9975 1.9975 1.9975
F3 1.3394 1.9975 2.1743 2.1743
F4 1.3394 1.9975 2.1743 2.1743
F5 1.3394 1.9975 2.1743 2.1743
Maximum atom distance is 2.1743Å between atoms F3 and F4.
picture of Methane, trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 108.518 F3 C1 F5 108.518
F4 C1 F5 108.518
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.408 H2 C1 F4 110.408
H2 C1 F5 110.408

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