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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/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6648 0.0000   -0.0355 -0.6639 -0.0378
H2 1.3640 -0.9280 0.0000   -0.0495 -0.9266 1.3640
C3 -0.0378 0.5265 1.4184   1.4445 0.4501 -0.0378
C4 -0.0378 0.5265 -1.4184   -1.3883 0.6015 -0.0378
H5 -1.0291 0.9777 1.5085   1.5585 0.8958 -1.0291
H6 -1.0291 0.9777 -1.5085   -1.4541 1.0569 -1.0291
H7 0.1578 -0.0130 2.3481   2.3441 -0.1383 0.1578
H8 0.1578 -0.0130 -2.3481   -2.3454 0.1124 0.1578
H9 0.6999 1.3263 1.3154   1.3844 1.2542 0.6999
H10 0.6999 1.3263 -1.3154   -1.2428 1.3946 0.6999
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4263 1.8523 1.8523 2.4405 2.4405 2.4447 2.4447 2.4979 2.4979
H2 1.4263 2.4683 2.4683 3.4109 3.4109 2.7938 2.7938 2.6932 2.6932
C3 1.8523 2.4683 2.8368 1.0929 3.1229 1.0926 3.8099 1.0929 2.9424
C4 1.8523 2.4683 2.8368 3.1229 1.0929 3.8099 1.0926 2.9424 1.0929
H5 2.4405 3.4109 1.0929 3.1229 3.0169 1.7594 4.1549 1.7743 3.3295
H6 2.4405 3.4109 3.1229 1.0929 3.0169 4.1549 1.7594 3.3295 1.7743
H7 2.4447 2.7938 1.0926 3.8099 1.7594 4.1549 4.6962 1.7759 3.9382
H8 2.4447 2.7938 3.8099 1.0926 4.1549 1.7594 4.6962 3.9382 1.7759
H9 2.4979 2.6932 1.0929 2.9424 1.7743 3.3295 1.7759 3.9382 2.6309
H10 2.4979 2.6932 2.9424 1.0929 3.3295 1.7743 3.9382 1.7759 2.6309
Maximum atom distance is 4.6962Å 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 99.945
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.188 P1 C3 H7 109.513
P1 C3 H9 113.487 P1 C4 H6 109.188
P1 C4 H8 109.513 P1 C4 H10 113.487
H2 P1 C3 96.815 H2 P1 C4 96.815
H5 C3 H7 107.227 H5 C3 H9 108.533
H6 C4 H8 107.227 H6 C4 H10 108.533
H7 C3 H9 108.701 H8 C4 H10 108.701

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