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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

TPSSh/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0379 -0.6665 0.0000   -0.0290 -0.6659 -0.0379
H2 1.3605 -0.9287 0.0000   -0.0403 -0.9279 1.3605
C3 -0.0379 0.5294 1.4295   1.4511 0.4668 -0.0379
C4 -0.0379 0.5294 -1.4295   -1.4051 0.5910 -0.0379
H5 -1.0328 0.9735 1.5209   1.5618 0.9065 -1.0328
H6 -1.0328 0.9735 -1.5209   -1.4772 1.0387 -1.0328
H7 0.1662 -0.0173 2.3537   2.3507 -0.1195 0.1662
H8 0.1662 -0.0173 -2.3537   -2.3522 0.0850 0.1662
H9 0.6983 1.3304 1.3203   1.3768 1.2718 0.6983
H10 0.6983 1.3304 -1.3203   -1.2612 1.3865 0.6983
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4228 1.8638 1.8638 2.4480 2.4480 2.4501 2.4501 2.5045 2.5045
H2 1.4228 2.4749 2.4749 3.4146 3.4146 2.7923 2.7923 2.6991 2.6991
C3 1.8638 2.4749 2.8589 1.0933 3.1451 1.0930 3.8279 1.0934 2.9571
C4 1.8638 2.4749 2.8589 3.1451 1.0933 3.8279 1.0930 2.9571 1.0934
H5 2.4480 3.4146 1.0933 3.1451 3.0419 1.7643 4.1751 1.7788 3.3461
H6 2.4480 3.4146 3.1451 1.0933 3.0419 4.1751 1.7643 3.3461 1.7788
H7 2.4501 2.7923 1.0930 3.8279 1.7643 4.1751 4.7074 1.7797 3.9493
H8 2.4501 2.7923 3.8279 1.0930 4.1751 1.7643 4.7074 3.9493 1.7797
H9 2.5045 2.6991 1.0934 2.9571 1.7788 3.3461 1.7797 3.9493 2.6405
H10 2.5045 2.6991 2.9571 1.0934 3.3461 1.7788 3.9493 1.7797 2.6405
Maximum atom distance is 4.7074Å 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 100.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.954 P1 C3 H7 109.123
P1 C3 H9 113.170 P1 C4 H6 108.954
P1 C4 H8 109.123 P1 C4 H10 113.170
H2 P1 C3 96.792 H2 P1 C4 96.792
H5 C3 H7 107.599 H5 C3 H9 108.874
H6 C4 H8 107.599 H6 C4 H10 108.874
H7 C3 H9 108.971 H8 C4 H10 108.971

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