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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=FULLultrafine/cc-pVDZ


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
P1 -0.0380 -0.6715 0.0000
H2 1.3678 -0.9356 0.0000
C3 -0.0380 0.5326 1.4276
C4 -0.0380 0.5326 -1.4276
H5 -1.0380 0.9852 1.5099
H6 -1.0380 0.9852 -1.5099
H7 0.1602 -0.0118 2.3630
H8 0.1602 -0.0118 -2.3630
H9 0.7065 1.3352 1.3149
H10 0.7065 1.3352 -1.3149
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4304 1.8676 1.8676 2.4545 2.4545 2.4613 2.4613 2.5120 2.5120
H2 1.4304 2.4839 2.4839 3.4289 3.4289 2.8098 2.8098 2.7061 2.7061
C3 1.8676 2.4839 2.8552 1.1008 3.1359 1.1003 3.8346 1.1005 2.9529
C4 1.8676 2.4839 2.8552 3.1359 1.1008 3.8346 1.1003 2.9529 1.1005
H5 2.4545 3.4289 1.1008 3.1359 3.0199 1.7769 4.1748 1.7900 3.3385
H6 2.4545 3.4289 3.1359 1.1008 3.0199 4.1748 1.7769 3.3385 1.7900
H7 2.4613 2.8098 1.1003 3.8346 1.7769 4.1748 4.7260 1.7921 3.9547
H8 2.4613 2.8098 3.8346 1.1003 4.1748 1.7769 4.7260 3.9547 1.7921
H9 2.5120 2.7061 1.1005 2.9529 1.7900 3.3385 1.7921 3.9547 2.6297
H10 2.5120 2.7061 2.9529 1.1005 3.3385 1.7900 3.9547 1.7921 2.6297
Maximum atom distance is 4.7260Å 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 99.710
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.800 P1 C3 H7 109.320
P1 C3 H9 113.074 P1 C4 H6 108.800
P1 C4 H8 109.320 P1 C4 H10 113.074
H2 P1 C3 96.836 H2 P1 C4 96.836
H5 C3 H7 107.667 H5 C3 H9 108.804
H6 C4 H8 107.667 H6 C4 H10 108.804
H7 C3 H9 109.032 H8 C4 H10 109.032

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