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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

MP2/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6084   0.0000 0.0000 0.6084
C2 0.0000 1.6171 -0.2811   1.4428 -0.7302 -0.2811
C3 1.4004 -0.8085 -0.2811   -0.0890 1.6146 -0.2811
C4 -1.4004 -0.8085 -0.2811   -1.3538 -0.8844 -0.2811
H5 0.0000 1.4869 -1.3661   1.3267 -0.6715 -1.3661
H6 -0.8814 2.1932 0.0053   1.5589 -1.7768 0.0053
H7 0.8814 2.1932 0.0053   2.3549 -0.2040 0.0053
H8 1.2877 -0.7435 -1.3661   -0.0818 1.4847 -1.3661
H9 2.3401 -0.3333 0.0053   0.7593 2.2384 0.0053
H10 1.4587 -1.8599 0.0053   -1.0007 2.1414 0.0053
H11 -1.2877 -0.7435 -1.3661   -1.2449 -0.8132 -1.3661
H12 -1.4587 -1.8599 0.0053   -2.3182 -0.4616 0.0053
H13 -2.3401 -0.3333 0.0053   -1.3541 -1.9373 0.0053
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.8456 1.8456 1.8456 2.4718 2.4394 2.4394 2.4718 2.4394 2.4394 2.4718 2.4394 2.4394
C2 1.8456 2.8008 2.8008 1.0928 1.0912 1.0912 2.8996 3.0597 3.7814 2.8996 3.7814 3.0597
C3 1.8456 2.8008 2.8008 2.8996 3.7814 3.0597 1.0928 1.0912 1.0912 2.8996 3.0597 3.7814
C4 1.8456 2.8008 2.8008 2.8996 3.0597 3.7814 2.8996 3.7814 3.0597 1.0928 1.0912 1.0912
H5 2.4718 1.0928 2.8996 2.8996 1.7766 1.7766 2.5754 3.2665 3.9000 2.5754 3.9000 3.2665
H6 2.4394 1.0912 3.7814 3.0597 1.7766 1.7627 3.9000 4.0940 4.6801 3.2665 4.0940 2.9174
H7 2.4394 1.0912 3.0597 3.7814 1.7766 1.7627 3.2665 2.9174 4.0940 3.9000 4.6801 4.0940
H8 2.4718 2.8996 1.0928 2.8996 2.5754 3.9000 3.2665 1.7766 1.7766 2.5754 3.2665 3.9000
H9 2.4394 3.0597 1.0912 3.7814 3.2665 4.0940 2.9174 1.7766 1.7627 3.9000 4.0940 4.6801
H10 2.4394 3.7814 1.0912 3.0597 3.9000 4.6801 4.0940 1.7766 1.7627 3.2665 2.9174 4.0940
H11 2.4718 2.8996 2.8996 1.0928 2.5754 3.2665 3.9000 2.5754 3.9000 3.2665 1.7766 1.7766
H12 2.4394 3.7814 3.0597 1.0912 3.9000 4.0940 4.6801 3.2665 4.0940 2.9174 1.7766 1.7627
H13 2.4394 3.0597 3.7814 1.0912 3.2665 2.9174 4.0940 3.9000 4.6801 4.0940 1.7766 1.7627
Maximum atom distance is 4.6801Å 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 98.717 C2 P1 C4 98.717
C3 P1 C4 98.717
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 111.974 P1 C2 H6 109.641
P1 C2 H7 109.641 P1 C3 H8 111.974
P1 C3 H9 109.641 P1 C3 H10 109.641
P1 C4 H11 111.974 P1 C4 H12 109.641
P1 C4 H13 109.641 H5 C2 H6 108.872
H5 C2 H7 108.872 H6 C2 H7 107.740
H8 C3 H9 108.872 H8 C3 H10 108.873
H9 C3 H10 107.740 H11 C4 H12 108.873
H11 C4 H13 108.872 H12 C4 H13 107.740

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