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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

PBE1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6652 0.0000   -0.0350 -0.6643 -0.0378
H2 1.3616 -0.9328 0.0000   -0.0491 -0.9315 1.3616
C3 -0.0378 0.5274 1.4234   1.4491 0.4518 -0.0378
C4 -0.0378 0.5274 -1.4234   -1.3937 0.6015 -0.0378
H5 -1.0323 0.9768 1.5139   1.5632 0.8958 -1.0323
H6 -1.0323 0.9768 -1.5139   -1.4605 1.0550 -1.0323
H7 0.1625 -0.0149 2.3528   2.3488 -0.1387 0.1625
H8 0.1625 -0.0149 -2.3528   -2.3504 0.1088 0.1625
H9 0.6997 1.3295 1.3162   1.3844 1.2585 0.6997
H10 0.6997 1.3295 -1.3162   -1.2445 1.3969 0.6997
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4248 1.8569 1.8569 2.4448 2.4448 2.4493 2.4493 2.5011 2.5011
H2 1.4248 2.4732 2.4732 3.4160 3.4160 2.7957 2.7957 2.6998 2.6998
C3 1.8569 2.4732 2.8467 1.0950 3.1334 1.0946 3.8202 1.0950 2.9484
C4 1.8569 2.4732 2.8467 3.1334 1.0950 3.8202 1.0946 2.9484 1.0950
H5 2.4448 3.4160 1.0950 3.1334 3.0279 1.7649 4.1669 1.7786 3.3368
H6 2.4448 3.4160 3.1334 1.0950 3.0279 4.1669 1.7649 3.3368 1.7786
H7 2.4493 2.7957 1.0946 3.8202 1.7649 4.1669 4.7057 1.7807 3.9444
H8 2.4493 2.7957 3.8202 1.0946 4.1669 1.7649 4.7057 3.9444 1.7807
H9 2.5011 2.6998 1.0950 2.9484 1.7786 3.3368 1.7807 3.9444 2.6325
H10 2.5011 2.6998 2.9484 1.0950 3.3368 1.7786 3.9444 1.7807 2.6325
Maximum atom distance is 4.7057Å 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 100.084
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.085 P1 C3 H7 109.433
P1 C3 H9 113.297 P1 C4 H6 109.085
P1 C4 H8 109.433 P1 C4 H10 113.297
H2 P1 C3 96.928 H2 P1 C4 96.928
H5 C3 H7 107.418 H5 C3 H9 108.612
H6 C4 H8 107.418 H6 C4 H10 108.612
H7 C3 H9 108.827 H8 C4 H10 108.827

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