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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

1910171554
InChI=1S/C2H7P/c1-3-2/h3H,1-2H3 INChIKey=YOTZYFSGUCFUKA-UHFFFAOYSA-N

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0375 -0.6651 0.0000   0.0000 -0.6619 -0.0750
H2 1.3432 -0.9457 0.0000   0.0000 -1.0201 1.2876
C3 -0.0375 0.5279 1.4156   1.4156 0.5292 -0.0076
C4 -0.0375 0.5279 -1.4156   -1.4156 0.5292 -0.0076
H5 -1.0230 0.9810 1.4977   1.4977 1.0372 -0.9659
H6 -1.0230 0.9810 -1.4977   -1.4977 1.0372 -0.9659
H7 0.1571 -0.0064 2.3427   2.3427 -0.0153 0.1565
H8 0.1571 -0.0064 -2.3427   -2.3427 -0.0153 0.1565
H9 0.7007 1.3191 1.3062   1.3062 1.2774 0.7741
H10 0.7007 1.3191 -1.3062   -1.3062 1.2774 0.7741
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4089 1.8512 1.8512 2.4339 2.4339 2.4413 2.4413 2.4876 2.4876
H2 1.4089 2.4661 2.4661 3.3991 3.3991 2.7888 2.7888 2.6923 2.6923
C3 1.8512 2.4661 2.8312 1.0877 3.1086 1.0875 3.8010 1.0876 2.9290
C4 1.8512 2.4661 2.8312 3.1086 1.0877 3.8010 1.0875 2.9290 1.0876
H5 2.4339 3.3991 1.0877 3.1086 2.9953 1.7554 4.1371 1.7669 3.3086
H6 2.4339 3.3991 3.1086 1.0877 2.9953 4.1371 1.7554 3.3086 1.7669
H7 2.4413 2.7888 1.0875 3.8010 1.7554 4.1371 4.6853 1.7683 3.9200
H8 2.4413 2.7888 3.8010 1.0875 4.1371 1.7554 4.6853 3.9200 1.7683
H9 2.4876 2.6923 1.0876 2.9290 1.7669 3.3086 1.7683 3.9200 2.6124
H10 2.4876 2.6923 2.9290 1.0876 3.3086 1.7669 3.9200 1.7683 2.6124
Maximum atom distance is 4.6853Å between atoms H7 and H8.
picture of dimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 P1 C4 99.756
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.034 P1 C3 H7 109.587
P1 C3 H9 113.072 P1 C4 H6 109.034
P1 C4 H8 109.587 P1 C4 H10 113.072
H2 P1 C3 97.374 H2 P1 C4 97.374
H5 C3 H7 107.603 H5 C3 H9 108.629
H6 C4 H8 107.603 H6 C4 H10 108.629
H7 C3 H9 108.766 H8 C4 H10 108.766

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