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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0382 -0.6740 0.0000   -0.0349 -0.6731 -0.0382
H2 1.3889 -0.9244 0.0000   -0.0479 -0.9231 1.3889
C3 -0.0382 0.5341 1.4354   1.4611 0.4590 -0.0382
C4 -0.0382 0.5341 -1.4354   -1.4057 0.6078 -0.0382
H5 -1.0494 0.9808 1.5240   1.5728 0.9005 -1.0494
H6 -1.0494 0.9808 -1.5240   -1.4711 1.0585 -1.0494
H7 0.1667 -0.0180 2.3743   2.3702 -0.1411 0.1667
H8 0.1667 -0.0180 -2.3743   -2.3721 0.1051 0.1667
H9 0.7047 1.3500 1.3251   1.3933 1.2794 0.7047
H10 0.7047 1.3500 -1.3251   -1.2534 1.4168 0.7047
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4489 1.8761 1.8761 2.4664 2.4664 2.4718 2.4718 2.5307 2.5307
H2 1.4489 2.4948 2.4948 3.4493 3.4493 2.8200 2.8200 2.7197 2.7197
C3 1.8761 2.4948 2.8707 1.1090 3.1591 1.1084 3.8549 1.1089 2.9729
C4 1.8761 2.4948 2.8707 3.1591 1.1090 3.8549 1.1084 2.9729 1.1089
H5 2.4664 3.4493 1.1090 3.1591 3.0479 1.7888 4.2040 1.8035 3.3661
H6 2.4664 3.4493 3.1591 1.1090 3.0479 4.2040 1.7888 3.3661 1.8035
H7 2.4718 2.8200 1.1084 3.8549 1.7888 4.2040 4.7487 1.8060 3.9808
H8 2.4718 2.8200 3.8549 1.1084 4.2040 1.7888 4.7487 3.9808 1.8060
H9 2.5307 2.7197 1.1089 2.9729 1.8035 3.3661 1.8060 3.9808 2.6503
H10 2.5307 2.7197 2.9729 1.1089 3.3661 1.8035 3.9808 1.8060 2.6503
Maximum atom distance is 4.7487Å 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 99.828
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.694 P1 C3 H7 109.111
P1 C3 H9 113.436 P1 C4 H6 108.694
P1 C4 H8 109.111 P1 C4 H10 113.436
H2 P1 C3 96.388 H2 P1 C4 96.388
H5 C3 H7 107.551 H5 C3 H9 108.810
H6 C4 H8 107.551 H6 C4 H10 108.810
H7 C3 H9 109.075 H8 C4 H10 109.075

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