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

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

PBEPBEultrafine/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 0.5031   0.5031 0.0000 0.0000
H2 -0.9210 0.0000 1.1091   1.1091 -0.9210 0.0000
H3 0.9210 0.0000 1.1091   1.1091 0.9210 0.0000
F4 0.0000 1.1160 -0.2909   -0.2909 0.0000 1.1160
F5 0.0000 -1.1160 -0.2909   -0.2909 0.0000 -1.1160
Atom - Atom Distances (Å)
  C1 H2 H3 F4 F5
C1 1.1025 1.1025 1.3697 1.3697
H2 1.1025 1.8420 2.0134 2.0134
H3 1.1025 1.8420 2.0134 2.0134
F4 1.3697 2.0134 2.0134 2.2320
F5 1.3697 2.0134 2.0134 2.2320
Maximum atom distance is 2.2320Å 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 109.134
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 113.309 H2 C1 F4 108.583
H2 C1 F5 108.583 H3 C1 F4 108.583
H3 C1 F5 108.583

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