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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

wB97X-D/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0396 -0.6941 0.0000   0.0000 -0.6911 -0.0761
H2 1.3857 -0.9297 0.0000   0.0000 -1.0014 1.3348
C3 -0.0396 0.5518 1.4413   1.4413 0.5531 -0.0104
C4 -0.0396 0.5518 -1.4413   -1.4413 0.5531 -0.0104
H5 -1.0316 1.0055 1.5085   1.5085 1.0584 -0.9772
H6 -1.0316 1.0055 -1.5085   -1.5085 1.0584 -0.9772
H7 0.1642 0.0194 2.3735   2.3735 0.0107 0.1649
H8 0.1642 0.0194 -2.3735   -2.3735 0.0107 0.1649
H9 0.7085 1.3353 1.2959   1.2959 1.2962 0.7779
H10 0.7085 1.3353 -1.2959   -1.2959 1.2962 0.7779
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4446 1.9052 1.9052 2.4796 2.4796 2.4868 2.4868 2.5214 2.5214
H2 1.4446 2.5107 2.5107 3.4444 3.4444 2.8332 2.8332 2.6960 2.6960
C3 1.9052 2.5107 2.8825 1.0929 3.1450 1.0927 3.8572 1.0930 2.9437
C4 1.9052 2.5107 2.8825 3.1450 1.0929 3.8572 1.0927 2.9437 1.0930
H5 2.4796 3.4444 1.0929 3.1450 3.0170 1.7749 4.1800 1.7838 3.3168
H6 2.4796 3.4444 3.1450 1.0929 3.0170 4.1800 1.7749 3.3168 1.7838
H7 2.4868 2.8332 1.0927 3.8572 1.7749 4.1800 4.7471 1.7859 3.9361
H8 2.4868 2.8332 3.8572 1.0927 4.1800 1.7749 4.7471 3.9361 1.7859
H9 2.5214 2.6960 1.0930 2.9437 1.7838 3.3168 1.7859 3.9361 2.5917
H10 2.5214 2.6960 2.9437 1.0930 3.3168 1.7838 3.9361 1.7859 2.5917
Maximum atom distance is 4.7471Å 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 98.315
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.543 P1 C3 H7 109.073
P1 C3 H9 111.602 P1 C4 H6 108.543
P1 C4 H8 109.073 P1 C4 H10 111.602
H2 P1 C3 96.122 H2 P1 C4 96.122
H5 C3 H7 108.601 H5 C3 H9 109.382
H6 C4 H8 108.601 H6 C4 H10 109.382
H7 C3 H9 109.583 H8 C4 H10 109.583

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