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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

QCISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0398 -0.6955 0.0000   0.0000 -0.6921 -0.0786
H2 1.3958 -0.9878 0.0000   0.0000 -1.0642 1.3384
C3 -0.0398 0.5558 1.4719   1.4719 0.5572 -0.0087
C4 -0.0398 0.5558 -1.4719   -1.4719 0.5572 -0.0087
H5 -1.0406 1.0071 1.5485   1.5485 1.0636 -0.9828
H6 -1.0406 1.0071 -1.5485   -1.5485 1.0636 -0.9828
H7 0.1729 0.0147 2.4060   2.4060 0.0050 0.1734
H8 0.1729 0.0147 -2.4060   -2.4060 0.0050 0.1734
H9 0.7073 1.3530 1.3359   1.3359 1.3114 0.7818
H10 0.7073 1.3530 -1.3359   -1.3359 1.3114 0.7818
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4651 1.9319 1.9319 2.5096 2.5096 2.5177 2.5177 2.5572 2.5572
H2 1.4651 2.5710 2.5710 3.5090 3.5090 2.8791 2.8791 2.7817 2.7817
C3 1.9319 2.5710 2.9438 1.1005 3.2138 1.1003 3.9213 1.1010 3.0129
C4 1.9319 2.5710 2.9438 3.2138 1.1005 3.9213 1.1003 3.0129 1.1010
H5 2.5096 3.5090 1.1005 3.2138 3.0971 1.7868 4.2539 1.7945 3.3904
H6 2.5096 3.5090 3.2138 1.1005 3.0971 4.2539 1.7868 3.3904 1.7945
H7 2.5177 2.8791 1.1003 3.9213 1.7868 4.2539 4.8121 1.7950 4.0098
H8 2.5177 2.8791 3.9213 1.1003 4.2539 1.7868 4.8121 4.0098 1.7950
H9 2.5572 2.7817 1.1010 3.0129 1.7945 3.3904 1.7950 4.0098 2.6718
H10 2.5572 2.7817 3.0129 1.1010 3.3904 1.7945 4.0098 1.7950 2.6718
Maximum atom distance is 4.8121Å 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 99.264
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.579 P1 C3 H7 109.166
P1 C3 H9 112.015 P1 C4 H6 108.579
P1 C4 H8 109.166 P1 C4 H10 112.015
H2 P1 C3 97.425 H2 P1 C4 97.425
H5 C3 H7 108.562 H5 C3 H9 109.197
H6 C4 H8 108.562 H6 C4 H10 109.197
H7 C3 H9 109.258 H8 C4 H10 109.258

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