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Geometry for CH3PH2 (Methyl phosphine) 1A' CS

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

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0707 1.1908 0.0000   -0.0028 0.0707 1.1908
P2 0.0707 -0.6763 0.0000   -0.0028 0.0707 -0.6763
H3 -0.9296 1.6310 0.0000   0.0364 -0.9289 1.6310
H4 0.6136 1.5440 0.8823   0.8576 0.6476 1.5440
H5 0.6136 1.5440 -0.8823   -0.9056 0.5786 1.5440
H6 -0.8913 -0.8597 -1.0345   -0.9988 -0.9311 -0.8597
H7 -0.8913 -0.8597 1.0345   1.0686 -0.8501 -0.8597
Atom - Atom Distances (Å)
  C1 P2 H3 H4 H5 H6 H7
C1 1.8670 1.0930 1.0944 1.0944 2.4900 2.4900
P2 1.8670 2.5148 2.4500 2.4500 1.4245 1.4245
H3 1.0930 2.5148 1.7797 1.7797 2.6973 2.6973
H4 1.0944 2.4500 1.7797 1.7645 3.4229 2.8400
H5 1.0944 2.4500 1.7797 1.7645 2.8400 3.4229
H6 2.4900 1.4245 2.6973 3.4229 2.8400 2.0689
H7 2.4900 1.4245 2.6973 2.8400 3.4229 2.0689
Maximum atom distance is 3.4229Å 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 97.401 C1 P2 H7 97.401
P2 C1 H3 113.754 P2 C1 H4 108.828
P2 C1 H5 108.828 H3 C1 H4 108.904
H3 C1 H5 108.904 H4 C1 H5 107.436
H6 P2 H7 93.135

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