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

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

MP2/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3481   0.0000 0.0000 0.3481
H2 0.0000 0.0000 1.4857   0.0000 0.0000 1.4857
F3 0.0000 1.3043 -0.1324   1.1013 0.6989 -0.1324
F4 1.1296 -0.6522 -0.1324   -1.1559 0.6043 -0.1324
F5 -1.1296 -0.6522 -0.1324   0.0546 -1.3032 -0.1324
Atom - Atom Distances (Å)
  C1 H2 F3 F4 F5
C1 1.1376 1.3900 1.3900 1.3900
H2 1.1376 2.0783 2.0783 2.0783
F3 1.3900 2.0783 2.2592 2.2592
F4 1.3900 2.0783 2.2592 2.2592
F5 1.3900 2.0783 2.2592 2.2592
Maximum atom distance is 2.2592Å between atoms F4 and F5.
picture of Methane, trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 108.712 F3 C1 F5 108.712
F4 C1 F5 108.712
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.220 H2 C1 F4 110.220
H2 C1 F5 110.220

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