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Geometry for CH3PH2 (Methyl phosphine) 1A' CS

1910171554
InChI=1S/CH5P/c1-2/h2H2,1H3 INChIKey=SAWKFRBJGLMMES-UHFFFAOYSA-N

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1155 -0.7937 0.0000   -0.7941 -0.1123 0.0000
P2 -0.1155 1.1302 0.0000   1.1298 -0.1200 0.0000
H3 0.8998 -1.2216 0.0000   -1.2180 0.9047 0.0000
H4 -0.6539 -1.1535 0.8920   -1.1561 -0.6493 0.8920
H5 -0.6539 -1.1535 -0.8920   -1.1561 -0.6493 -0.8920
H6 0.8391 1.3198 -1.0630   1.3231 0.8338 -1.0630
H7 0.8391 1.3198 1.0630   1.3231 0.8338 1.0630
Atom - Atom Distances (Å)
  C1 P2 H3 H4 H5 H6 H7
C1 1.9239 1.1017 1.1023 1.1023 2.5510 2.5510
P2 1.9239 2.5616 2.5102 2.5102 1.4412 1.4412
H3 1.1017 2.5616 1.7929 1.7929 2.7554 2.7554
H4 1.1023 2.5102 1.7929 1.7840 3.4883 2.8940
H5 1.1023 2.5102 1.7929 1.7840 2.8940 3.4883
H6 2.5510 1.4412 2.7554 3.4883 2.8940 2.1260
H7 2.5510 1.4412 2.7554 2.8940 3.4883 2.1260
Maximum atom distance is 3.4883Å between atoms H4 and H6.
picture of Methyl phosphine
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 H6 97.558 C1 P2 H7 97.558
P2 C1 H3 112.854 P2 C1 H4 109.051
P2 C1 H5 109.051 H3 C1 H4 108.868
H3 C1 H5 108.868 H4 C1 H5 108.037
H6 P2 H7 95.052

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