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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

HF/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6136   0.0000 0.0000 0.6136
C2 0.0000 1.6085 -0.2816   1.5381 0.4705 -0.2816
C3 1.3930 -0.8043 -0.2816   -1.1765 1.0968 -0.2816
C4 -1.3930 -0.8043 -0.2816   -0.3616 -1.5673 -0.2816
H5 0.0000 1.4920 -1.3596   1.4267 0.4364 -1.3596
H6 -0.8739 2.1883 -0.0093   2.3482 -0.1956 -0.0093
H7 0.8739 2.1883 -0.0093   1.8370 1.4758 -0.0093
H8 1.2921 -0.7460 -1.3596   -1.0913 1.0174 -1.3596
H9 2.3321 -0.3373 -0.0093   -1.0047 2.1314 -0.0093
H10 1.4582 -1.8509 -0.0093   -2.1965 0.8530 -0.0093
H11 -1.2921 -0.7460 -1.3596   -0.3354 -1.4538 -1.3596
H12 -1.4582 -1.8509 -0.0093   -1.3435 -1.9358 -0.0093
H13 -2.3321 -0.3373 -0.0093   0.3596 -2.3287 -0.0093
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.8408 1.8408 1.8408 2.4737 2.4373 2.4373 2.4737 2.4373 2.4373 2.4737 2.4373 2.4373
C2 1.8408 2.7860 2.7860 1.0843 1.0835 1.0835 2.8940 3.0494 3.7641 2.8940 3.7641 3.0494
C3 1.8408 2.7860 2.7860 2.8940 3.7641 3.0494 1.0843 1.0835 1.0835 2.8940 3.0494 3.7641
C4 1.8408 2.7860 2.7860 2.8940 3.0494 3.7641 2.8940 3.7641 3.0494 1.0843 1.0835 1.0835
H5 2.4737 1.0843 2.8940 2.8940 1.7527 1.7527 2.5841 3.2570 3.8890 2.5841 3.8890 3.2570
H6 2.4373 1.0835 3.7641 3.0494 1.7527 1.7478 3.8890 4.0813 4.6641 3.2570 4.0813 2.9163
H7 2.4373 1.0835 3.0494 3.7641 1.7527 1.7478 3.2570 2.9163 4.0813 3.8890 4.6641 4.0813
H8 2.4737 2.8940 1.0843 2.8940 2.5841 3.8890 3.2570 1.7527 1.7527 2.5841 3.2570 3.8890
H9 2.4373 3.0494 1.0835 3.7641 3.2570 4.0813 2.9163 1.7527 1.7478 3.8890 4.0813 4.6641
H10 2.4373 3.7641 1.0835 3.0494 3.8890 4.6641 4.0813 1.7527 1.7478 3.2570 2.9163 4.0813
H11 2.4737 2.8940 2.8940 1.0843 2.5841 3.2570 3.8890 2.5841 3.8890 3.2570 1.7527 1.7527
H12 2.4373 3.7641 3.0494 1.0835 3.8890 4.0813 4.6641 3.2570 4.0813 2.9163 1.7527 1.7478
H13 2.4373 3.0494 3.7641 1.0835 3.2570 2.9163 4.0813 3.8890 4.6641 4.0813 1.7527 1.7478
Maximum atom distance is 4.6641Å between atoms H9 and H13.
picture of trimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 P1 C3 98.353 C2 P1 C4 98.353
C3 P1 C4 98.353
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 112.927 P1 C2 H6 110.202
P1 C2 H7 110.202 P1 C3 H8 112.927
P1 C3 H9 110.202 P1 C3 H10 110.202
P1 C4 H11 112.927 P1 C4 H12 110.202
P1 C4 H13 110.202 H5 C2 H6 107.904
H5 C2 H7 107.904 H6 C2 H7 107.515
H8 C3 H9 107.904 H8 C3 H10 107.904
H9 C3 H10 107.515 H11 C4 H12 107.904
H11 C4 H13 107.904 H12 C4 H13 107.515

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