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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

B2PLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0396 -0.6965 0.0000   -0.0366 -0.6956 -0.0396
H2 1.3861 -0.9352 0.0000   -0.0492 -0.9339 1.3861
C3 -0.0396 0.5551 1.4550   1.4821 0.4778 -0.0396
C4 -0.0396 0.5551 -1.4550   -1.4238 0.6308 -0.0396
H5 -1.0366 0.9922 1.5344   1.5845 0.9102 -1.0366
H6 -1.0366 0.9922 -1.5344   -1.4801 1.0715 -1.0366
H7 0.1831 0.0203 2.3801   2.3779 -0.1049 0.1831
H8 0.1831 0.0203 -2.3801   -2.3758 0.1454 0.1831
H9 0.6951 1.3485 1.3038   1.3729 1.2781 0.6951
H10 0.6951 1.3485 -1.3038   -1.2311 1.4152 0.6951
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4456 1.9193 1.9193 2.4901 2.4901 2.4957 2.4957 2.5342 2.5342
H2 1.4456 2.5240 2.5240 3.4553 3.4553 2.8329 2.8329 2.7190 2.7190
C3 1.9193 2.5240 2.9099 1.0915 3.1815 1.0916 3.8786 1.0919 2.9631
C4 1.9193 2.5240 2.9099 3.1815 1.0915 3.8786 1.0916 2.9631 1.0919
H5 2.4901 3.4553 1.0915 3.1815 3.0689 1.7742 4.2138 1.7830 3.3439
H6 2.4901 3.4553 3.1815 1.0915 3.0689 4.2138 1.7742 3.3439 1.7830
H7 2.4957 2.8329 1.0916 3.8786 1.7742 4.2138 4.7603 1.7846 3.9494
H8 2.4957 2.8329 3.8786 1.0916 4.2138 1.7742 4.7603 3.9494 1.7846
H9 2.5342 2.7190 1.0919 2.9631 1.7830 3.3439 1.7846 3.9494 2.6076
H10 2.5342 2.7190 2.9631 1.0919 3.3439 1.7830 3.9494 1.7846 2.6076
Maximum atom distance is 4.7603Å 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 98.592
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.442 P1 C3 H7 108.843
P1 C3 H9 111.650 P1 C4 H6 108.442
P1 C4 H8 108.843 P1 C4 H10 111.650
H2 P1 C3 96.181 H2 P1 C4 96.181
H5 C3 H7 108.715 H5 C3 H9 109.496
H6 C4 H8 108.715 H6 C4 H10 109.496
H7 C3 H9 109.639 H8 C4 H10 109.639

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