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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

B3LYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0380 -0.6687 0.0000   -0.0351 -0.6677 -0.0380
H2 1.3650 -0.9353 0.0000   -0.0491 -0.9340 1.3650
C3 -0.0380 0.5317 1.4374   1.4633 0.4554 -0.0380
C4 -0.0380 0.5317 -1.4374   -1.4075 0.6064 -0.0380
H5 -1.0298 0.9782 1.5264   1.5757 0.8967 -1.0298
H6 -1.0298 0.9782 -1.5264   -1.4729 1.0570 -1.0298
H7 0.1618 -0.0148 2.3603   2.3563 -0.1387 0.1618
H8 0.1618 -0.0148 -2.3603   -2.3578 0.1092 0.1618
H9 0.6990 1.3292 1.3314   1.3994 1.2575 0.6990
H10 0.6990 1.3292 -1.3314   -1.2598 1.3973 0.6990
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4281 1.8726 1.8726 2.4547 2.4547 2.4573 2.4573 2.5115 2.5115
H2 1.4281 2.4872 2.4872 3.4244 3.4244 2.8046 2.8046 2.7100 2.7100
C3 1.8726 2.4872 2.8747 1.0913 3.1570 1.0910 3.8420 1.0911 2.9741
C4 1.8726 2.4872 2.8747 3.1570 1.0913 3.8420 1.0910 2.9741 1.0911
H5 2.4547 3.4244 1.0913 3.1570 3.0528 1.7610 4.1847 1.7748 3.3584
H6 2.4547 3.4244 3.1570 1.0913 3.0528 4.1847 1.7610 3.3584 1.7748
H7 2.4573 2.8046 1.0910 3.8420 1.7610 4.1847 4.7206 1.7758 3.9653
H8 2.4573 2.8046 3.8420 1.0910 4.1847 1.7610 4.7206 3.9653 1.7758
H9 2.5115 2.7100 1.0911 2.9741 1.7748 3.3584 1.7758 3.9653 2.6629
H10 2.5115 2.7100 2.9741 1.0911 3.3584 1.7748 3.9653 1.7758 2.6629
Maximum atom distance is 4.7206Å 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 100.271
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.958 P1 C3 H7 109.163
P1 C3 H9 113.205 P1 C4 H6 108.958
P1 C4 H8 109.163 P1 C4 H10 113.205
H2 P1 C3 96.872 H2 P1 C4 96.872
H5 C3 H7 107.599 H5 C3 H9 108.826
H6 C4 H8 107.599 H6 C4 H10 108.826
H7 C3 H9 108.940 H8 C4 H10 108.940

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