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Geometry for CH2F2 (Methane, difluoro-) 1A1 C2V

1910171554
InChI=1S/CH2F2/c2-1-3/h1H2 INChIKey=RWRIWBAIICGTTQ-UHFFFAOYSA-N

mPW1PW91/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4991   0.0000 0.4991 0.0000
H2 -0.9109 0.0000 1.1015   0.0000 1.1015 -0.9109
H3 0.9109 0.0000 1.1015   0.0000 1.1015 0.9109
F4 0.0000 1.1006 -0.2887   1.1006 -0.2887 0.0000
F5 0.0000 -1.1006 -0.2887   -1.1006 -0.2887 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 F4 F5
C1 1.0921 1.0921 1.3535 1.3535
H2 1.0921 1.8218 1.9934 1.9934
H3 1.0921 1.8218 1.9934 1.9934
F4 1.3535 1.9934 1.9934 2.2011
F5 1.3535 1.9934 1.9934 2.2011
Maximum atom distance is 2.2011Å between atoms F4 and F5.
picture of Methane, difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F4 C1 F5 108.809
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 113.045 H2 C1 F4 108.728
H2 C1 F5 108.728 H3 C1 F4 108.728
H3 C1 F5 108.728

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