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Geometry for CH2PH (Phosphaethene) 1A' CS

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

PBEPBEultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0575 1.0862 0.0000   1.0835 0.0955 0.0000
P2 0.0575 -0.6049 0.0000   -0.6065 0.0362 0.0000
H3 -0.8414 1.7185 0.0000   1.7470 -0.7807 0.0000
H4 1.0201 1.6196 0.0000   1.5828 1.0762 0.0000
H5 -1.3853 -0.7823 0.0000   -0.7333 -1.4119 0.0000
Atom - Atom Distances (Å)
  C1 P2 H3 H4 H5
C1 1.6911 1.0990 1.1005 2.3607
P2 1.6911 2.4912 2.4238 1.4537
H3 1.0990 2.4912 1.8641 2.5593
H4 1.1005 2.4238 1.8641 3.3993
H5 2.3607 1.4537 2.5593 3.3993
Maximum atom distance is 3.3993Å 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 97.012 P2 C1 H3 125.127
P2 C1 H4 118.991 H3 C1 H4 115.882

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