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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0380 -0.6690 0.0000   -0.0348 -0.6681 -0.0380
H2 1.3635 -0.9306 0.0000   -0.0484 -0.9294 1.3635
C3 -0.0380 0.5317 1.4334   1.4591 0.4565 -0.0380
C4 -0.0380 0.5317 -1.4334   -1.4039 0.6055 -0.0380
H5 -1.0318 0.9767 1.5222   1.5709 0.8963 -1.0318
H6 -1.0318 0.9767 -1.5222   -1.4694 1.0545 -1.0318
H7 0.1645 -0.0145 2.3573   2.3533 -0.1370 0.1645
H8 0.1645 -0.0145 -2.3573   -2.3548 0.1080 0.1645
H9 0.6991 1.3302 1.3228   1.3901 1.2597 0.6991
H10 0.6991 1.3302 -1.3228   -1.2519 1.3972 0.6991
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4258 1.8699 1.8699 2.4521 2.4521 2.4548 2.4548 2.5080 2.5080
H2 1.4258 2.4814 2.4814 3.4194 3.4194 2.7988 2.7988 2.7024 2.7024
C3 1.8699 2.4814 2.8669 1.0925 3.1498 1.0922 3.8352 1.0923 2.9627
C4 1.8699 2.4814 2.8669 3.1498 1.0925 3.8352 1.0922 2.9627 1.0923
H5 2.4521 3.4194 1.0925 3.1498 3.0444 1.7638 4.1790 1.7778 3.3489
H6 2.4521 3.4194 3.1498 1.0925 3.0444 4.1790 1.7638 3.3489 1.7778
H7 2.4548 2.7988 1.0922 3.8352 1.7638 4.1790 4.7145 1.7789 3.9544
H8 2.4548 2.7988 3.8352 1.0922 4.1790 1.7638 4.7145 3.9544 1.7789
H9 2.5080 2.7024 1.0923 2.9627 1.7778 3.3489 1.7789 3.9544 2.6456
H10 2.5080 2.7024 2.9627 1.0923 3.3489 1.7778 3.9544 1.7789 2.6456
Maximum atom distance is 4.7145Å 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 100.097
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.894 P1 C3 H7 109.102
P1 C3 H9 113.064 P1 C4 H6 108.894
P1 C4 H8 109.102 P1 C4 H10 113.064
H2 P1 C3 96.767 H2 P1 C4 96.767
H5 C3 H7 107.679 H5 C3 H9 108.925
H6 C4 H8 107.679 H6 C4 H10 108.925
H7 C3 H9 109.037 H8 C4 H10 109.037

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