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Geometry for P(CH3)3 (trimethylphosphine) 1A1 C3V

1910171554
InChI=1S/C3H9P/c1-4(2)3/h1-3H3 INChIKey=YWWDBCBWQNCYNR-UHFFFAOYSA-N

CCSD(T)/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6217   0.0000 0.0000 0.6217
C2 0.0000 1.6353 -0.2871   1.4660 -0.7245 -0.2871
C3 1.4162 -0.8176 -0.2871   -0.1055 1.6319 -0.2871
C4 -1.4162 -0.8176 -0.2871   -1.3605 -0.9073 -0.2871
H5 0.0000 1.4976 -1.3870   1.3426 -0.6635 -1.3870
H6 -0.8942 2.2203 0.0006   1.5943 -1.7854 0.0006
H7 0.8942 2.2203 0.0006   2.3867 -0.1821 0.0006
H8 1.2970 -0.7488 -1.3870   -0.0966 1.4945 -1.3870
H9 2.3700 -0.3357 0.0006   0.7491 2.2734 0.0006
H10 1.4757 -1.8846 0.0006   -1.0357 2.1580 0.0006
H11 -1.2970 -0.7488 -1.3870   -1.2459 -0.8309 -1.3870
H12 -1.4757 -1.8846 0.0006   -2.3434 -0.4880 0.0006
H13 -2.3700 -0.3357 0.0006   -1.3510 -1.9759 0.0006
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.8708 1.8708 1.8708 2.5055 2.4729 2.4729 2.5055 2.4729 2.4729 2.5055 2.4729 2.4729
C2 1.8708 2.8324 2.8324 1.1085 1.1067 1.1067 2.9284 3.0959 3.8275 2.9284 3.8275 3.0959
C3 1.8708 2.8324 2.8324 2.9284 3.8275 3.0959 1.1085 1.1067 1.1067 2.9284 3.0959 3.8275
C4 1.8708 2.8324 2.8324 2.9284 3.0959 3.8275 2.9284 3.8275 3.0959 1.1085 1.1067 1.1067
H5 2.5055 1.1085 2.9284 2.9284 1.8020 1.8020 2.5939 3.3020 3.9424 2.5939 3.9424 3.3020
H6 2.4729 1.1067 3.8275 3.0959 1.8020 1.7885 3.9424 4.1459 4.7399 3.3020 4.1459 2.9514
H7 2.4729 1.1067 3.0959 3.8275 1.8020 1.7885 3.3020 2.9514 4.1459 3.9424 4.7399 4.1459
H8 2.5055 2.9284 1.1085 2.9284 2.5939 3.9424 3.3020 1.8020 1.8020 2.5939 3.3020 3.9424
H9 2.4729 3.0959 1.1067 3.8275 3.3020 4.1459 2.9514 1.8020 1.7885 3.9424 4.1459 4.7399
H10 2.4729 3.8275 1.1067 3.0959 3.9424 4.7399 4.1459 1.8020 1.7885 3.3020 2.9514 4.1459
H11 2.5055 2.9284 2.9284 1.1085 2.5939 3.3020 3.9424 2.5939 3.9424 3.3020 1.8020 1.8020
H12 2.4729 3.8275 3.0959 1.1067 3.9424 4.1459 4.7399 3.3020 4.1459 2.9514 1.8020 1.7885
H13 2.4729 3.0959 3.8275 1.1067 3.3020 2.9514 4.1459 3.9424 4.7399 4.1459 1.8020 1.7885
Maximum atom distance is 4.7399Å between atoms H6 and H10.
picture of trimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 P1 C3 98.400 C2 P1 C4 98.400
C3 P1 C4 98.400
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 111.926 P1 C2 H6 109.622
P1 C2 H7 109.622 P1 C3 H8 111.926
P1 C3 H9 109.622 P1 C3 H10 109.622
P1 C4 H11 111.926 P1 C4 H12 109.622
P1 C4 H13 109.622 H5 C2 H6 108.882
H5 C2 H7 108.882 H6 C2 H7 107.813
H8 C3 H9 108.882 H8 C3 H10 108.882
H9 C3 H10 107.813 H11 C4 H12 108.882
H11 C4 H13 108.882 H12 C4 H13 107.813

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