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Geometry for CH3PH2 (Methyl phosphine) 1A' CS

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

mPW1PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0703 1.1885 0.0000   -0.0026 0.0703 1.1885
P2 0.0703 -0.6740 0.0000   -0.0026 0.0703 -0.6740
H3 -0.9273 1.6283 0.0000   0.0349 -0.9267 1.6283
H4 0.6120 1.5403 0.8802   0.8566 0.6447 1.5403
H5 0.6120 1.5403 -0.8802   -0.9027 0.5784 1.5403
H6 -0.8866 -0.8648 -1.0338   -0.9996 -0.9249 -0.8648
H7 -0.8866 -0.8648 1.0338   1.0664 -0.8471 -0.8648
Atom - Atom Distances (Å)
  C1 P2 H3 H4 H5 H6 H7
C1 1.8626 1.0903 1.0918 1.0918 2.4901 2.4901
P2 1.8626 2.5092 2.4437 2.4437 1.4216 1.4216
H3 1.0903 2.5092 1.7754 1.7754 2.6993 2.6993
H4 1.0918 2.4437 1.7754 1.7605 3.4196 2.8380
H5 1.0918 2.4437 1.7754 1.7605 2.8380 3.4196
H6 2.4901 1.4216 2.6993 3.4196 2.8380 2.0675
H7 2.4901 1.4216 2.6993 2.8380 3.4196 2.0675
Maximum atom distance is 3.4196Å 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 97.713 C1 P2 H7 97.713
P2 C1 H3 113.790 P2 C1 H4 108.796
P2 C1 H5 108.796 H3 C1 H4 108.907
H3 C1 H5 108.907 H4 C1 H5 107.459
H6 P2 H7 93.306

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