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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

M06-2X/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6717 0.0000   0.0000 -0.6686 -0.0749
H2 1.3570 -0.9335 0.0000   0.0000 -1.0071 1.3033
C3 -0.0378 0.5323 1.4181   1.4181 0.5336 -0.0083
C4 -0.0378 0.5323 -1.4181   -1.4181 0.5336 -0.0083
H5 -1.0282 0.9890 1.4950   1.4950 1.0444 -0.9719
H6 -1.0282 0.9890 -1.4950   -1.4950 1.0444 -0.9719
H7 0.1531 -0.0023 2.3519   2.3519 -0.0108 0.1527
H8 0.1531 -0.0023 -2.3519   -2.3519 -0.0108 0.1527
H9 0.7069 1.3244 1.3029   1.3029 1.2832 0.7791
H10 0.7069 1.3244 -1.3029   -1.3029 1.2832 0.7791
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4191 1.8603 1.8603 2.4442 2.4442 2.4528 2.4528 2.4973 2.4973
H2 1.4191 2.4708 2.4708 3.4088 3.4088 2.8014 2.8014 2.6866 2.6866
C3 1.8603 2.4708 2.8361 1.0934 3.1105 1.0928 3.8125 1.0933 2.9301
C4 1.8603 2.4708 2.8361 3.1105 1.0934 3.8125 1.0928 2.9301 1.0933
H5 2.4442 3.4088 1.0934 3.1105 2.9900 1.7642 4.1445 1.7777 3.3093
H6 2.4442 3.4088 3.1105 1.0934 2.9900 4.1445 1.7642 3.3093 1.7777
H7 2.4528 2.8014 1.0928 3.8125 1.7642 4.1445 4.7038 1.7797 3.9274
H8 2.4528 2.8014 3.8125 1.0928 4.1445 1.7642 4.7038 3.9274 1.7797
H9 2.4973 2.6866 1.0933 2.9301 1.7777 3.3093 1.7797 3.9274 2.6057
H10 2.4973 2.6866 2.9301 1.0933 3.3093 1.7777 3.9274 1.7797 2.6057
Maximum atom distance is 4.7038Å 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 99.333
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.906 P1 C3 H7 109.558
P1 C3 H9 112.868 P1 C4 H6 108.906
P1 C4 H8 109.558 P1 C4 H10 112.868
H2 P1 C3 96.855 H2 P1 C4 96.855
H5 C3 H7 107.604 H5 C3 H9 108.774
H6 C4 H8 107.604 H6 C4 H10 108.774
H7 C3 H9 108.993 H8 C4 H10 108.993

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