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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

MP2/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6076   -0.0000 0.0000 -0.6076
C2 0.0000 1.6191 -0.2801   1.6191 -0.0000 0.2801
C3 1.4022 -0.8096 -0.2801   -0.8096 1.4022 0.2801
C4 -1.4022 -0.8096 -0.2801   -0.8096 -1.4022 0.2801
H5 0.0000 1.4962 -1.3678   1.4962 -0.0000 1.3678
H6 -0.8806 2.1996 0.0052   2.1996 -0.8806 -0.0052
H7 0.8806 2.1996 0.0052   2.1996 0.8806 -0.0052
H8 1.2957 -0.7481 -1.3678   -0.7481 1.2957 1.3678
H9 2.3452 -0.3371 0.0052   -0.3371 2.3452 -0.0052
H10 1.4646 -1.8624 0.0052   -1.8624 1.4646 -0.0052
H11 -1.2957 -0.7481 -1.3678   -0.7481 -1.2957 1.3678
H12 -1.4646 -1.8624 0.0052   -1.8624 -1.4646 -0.0052
H13 -2.3452 -0.3371 0.0052   -0.3371 -2.3452 -0.0052
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.8466 1.8466 1.8466 2.4781 2.4447 2.4447 2.4781 2.4447 2.4447 2.4781 2.4447 2.4447
C2 1.8466 2.8044 2.8044 1.0946 1.0926 1.0926 2.9096 3.0673 3.7879 2.9096 3.7879 3.0673
C3 1.8466 2.8044 2.8044 2.9096 3.7879 3.0673 1.0946 1.0926 1.0926 2.9096 3.0673 3.7879
C4 1.8466 2.8044 2.8044 2.9096 3.0673 3.7879 2.9096 3.7879 3.0673 1.0946 1.0926 1.0926
H5 2.4781 1.0946 2.9096 2.9096 1.7763 1.7763 2.5915 3.2781 3.9129 2.5915 3.9129 3.2781
H6 2.4447 1.0926 3.7879 3.0673 1.7763 1.7613 3.9129 4.1038 4.6904 3.2781 4.1038 2.9291
H7 2.4447 1.0926 3.0673 3.7879 1.7763 1.7613 3.2781 2.9291 4.1038 3.9129 4.6904 4.1038
H8 2.4781 2.9096 1.0946 2.9096 2.5915 3.9129 3.2781 1.7763 1.7763 2.5915 3.2781 3.9129
H9 2.4447 3.0673 1.0926 3.7879 3.2781 4.1038 2.9291 1.7763 1.7613 3.9129 4.1038 4.6904
H10 2.4447 3.7879 1.0926 3.0673 3.9129 4.6904 4.1038 1.7763 1.7613 3.2781 2.9291 4.1038
H11 2.4781 2.9096 2.9096 1.0946 2.5915 3.2781 3.9129 2.5915 3.9129 3.2781 1.7763 1.7763
H12 2.4447 3.7879 3.0673 1.0926 3.9129 4.1038 4.6904 3.2781 4.1038 2.9291 1.7763 1.7613
H13 2.4447 3.0673 3.7879 1.0926 3.2781 2.9291 4.1038 3.9129 4.6904 4.1038 1.7763 1.7613
Maximum atom distance is 4.6904Å 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 98.817 C2 P1 C4 98.817
C3 P1 C4 98.817
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 112.286 P1 C2 H6 109.891
P1 C2 H7 109.891 P1 C3 H8 112.286
P1 C3 H9 109.891 P1 C3 H10 109.891
P1 C4 H11 112.286 P1 C4 H12 109.891
P1 C4 H13 109.891 H5 C2 H6 108.614
H5 C2 H7 108.614 H6 C2 H7 107.409
H8 C3 H9 108.614 H8 C3 H10 108.613
H9 C3 H10 107.409 H11 C4 H12 108.613
H11 C4 H13 108.614 H12 C4 H13 107.409

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