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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

CID/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6317   -0.0000 -0.0000 -0.6317
C2 0.0000 1.6751 -0.2947   1.6751 0.0000 0.2947
C3 1.4507 -0.8376 -0.2947   -0.8376 1.4507 0.2947
C4 -1.4507 -0.8376 -0.2947   -0.8376 -1.4507 0.2947
H5 0.0000 1.5271 -1.3776   1.5271 0.0000 1.3776
H6 -0.8872 2.2413 -0.0062   2.2413 -0.8872 0.0062
H7 0.8872 2.2413 -0.0062   2.2413 0.8872 0.0062
H8 1.3225 -0.7635 -1.3776   -0.7635 1.3225 1.3776
H9 2.3847 -0.3523 -0.0062   -0.3523 2.3847 0.0062
H10 1.4974 -1.8890 -0.0062   -1.8890 1.4974 0.0062
H11 -1.3225 -0.7635 -1.3776   -0.7635 -1.3225 1.3776
H12 -1.4974 -1.8890 -0.0062   -1.8890 -1.4974 0.0062
H13 -2.3847 -0.3523 -0.0062   -0.3523 -2.3847 0.0062
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.9142 1.9142 1.9142 2.5237 2.4935 2.4935 2.5237 2.4935 2.4935 2.5237 2.4935 2.4935
C2 1.9142 2.9014 2.9014 1.0929 1.0913 1.0913 2.9780 3.1433 3.8767 2.9780 3.8767 3.1433
C3 1.9142 2.9014 2.9014 2.9780 3.8767 3.1433 1.0929 1.0913 1.0914 2.9780 3.1433 3.8767
C4 1.9142 2.9014 2.9014 2.9780 3.1433 3.8767 2.9780 3.8767 3.1433 1.0929 1.0914 1.0913
H5 2.5237 1.0929 2.9780 2.9780 1.7827 1.7827 2.6449 3.3316 3.9740 2.6449 3.9740 3.3316
H6 2.4935 1.0913 3.8767 3.1433 1.7827 1.7745 3.9740 4.1752 4.7693 3.3316 4.1752 2.9949
H7 2.4935 1.0913 3.1433 3.8767 1.7827 1.7745 3.3316 2.9949 4.1752 3.9740 4.7693 4.1752
H8 2.5237 2.9780 1.0929 2.9780 2.6449 3.9740 3.3316 1.7827 1.7827 2.6449 3.3316 3.9740
H9 2.4935 3.1433 1.0913 3.8767 3.3316 4.1752 2.9949 1.7827 1.7745 3.9740 4.1752 4.7693
H10 2.4935 3.8767 1.0914 3.1433 3.9740 4.7693 4.1752 1.7827 1.7745 3.3316 2.9949 4.1752
H11 2.5237 2.9780 2.9780 1.0929 2.6449 3.3316 3.9740 2.6449 3.9740 3.3316 1.7827 1.7827
H12 2.4935 3.8767 3.1433 1.0914 3.9740 4.1752 4.7693 3.3316 4.1752 2.9949 1.7827 1.7745
H13 2.4935 3.1433 3.8767 1.0913 3.3316 2.9949 4.1752 3.9740 4.7693 4.1752 1.7827 1.7745
Maximum atom distance is 4.7693Å 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 98.551 C2 P1 C4 98.551
C3 P1 C4 98.551
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 111.156 P1 C2 H6 109.028
P1 C2 H7 109.028 P1 C3 H8 111.156
P1 C3 H9 109.028 P1 C3 H10 109.028
P1 C4 H11 111.156 P1 C4 H12 109.028
P1 C4 H13 109.028 H5 C2 H6 109.407
H5 C2 H7 109.407 H6 C2 H7 108.776
H8 C3 H9 109.407 H8 C3 H10 109.407
H9 C3 H10 108.776 H11 C4 H12 109.407
H11 C4 H13 109.407 H12 C4 H13 108.776

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