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Geometry for CH2PH (Phosphaethene) 1A' CS

1910171554
InChI=1S/CH3P/c1-2/h2H,1H2 INChIKey=HIQXJRBKNONWAH-UHFFFAOYSA-N

B3LYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0565 1.0733 0.0000   1.0709 0.0915 0.0000
P2 0.0565 -0.5968 0.0000   -0.5983 0.0370 0.0000
H3 -0.8289 1.6992 0.0000   1.7253 -0.7730 0.0000
H4 1.0038 1.6038 0.0000   1.5703 1.0556 0.0000
H5 -1.3614 -0.7910 0.0000   -0.7461 -1.3864 0.0000
Atom - Atom Distances (Å)
  C1 P2 H3 H4 H5
C1 1.6701 1.0843 1.0858 2.3422
P2 1.6701 2.4608 2.3959 1.4311
H3 1.0843 2.4608 1.8352 2.5464
H4 1.0858 2.3959 1.8352 3.3659
H5 2.3422 1.4311 2.5464 3.3659
Maximum atom distance is 3.3659Å between atoms H4 and H5.
picture of Phosphaethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 P2 H5 97.798 P2 C1 H3 125.258
P2 C1 H4 119.251 H3 C1 H4 115.491

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